3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-

C₁₄H₂₀N₂CAS 76272-36-1216.33 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₀N₂
Molar mass: 216.33 g/mol
Exact mass: 216.1626 Da
logP: 2.14Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

76272-36-1

SMILES

C1C[C@H]2CC(C[C@@H]1N2CC3=CC=CC=C3)N

InChIKey

TZWXPIKAEAYGPF-AGUYFDCRSA-N

InChI

InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12?,13-,14+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

8-Benzyl-8-azabicyclo[3.2.1]octan-3-exo-amine

Work with 3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzyl-4-piperidylamine50541-93-053 % similar 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-453 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-750 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-850 % similar 1-Benzyl-3-aminopyrrolidine18471-40-450 % similar 1-Benzylpiperidin-4-amine dihydrochloride1205-72-749 % similar (R)-3-Amino-1-benzylpiperidine168466-84-047 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine128740-14-7 2-Heptylbenzimidazole5851-49-0

Elsewhere

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