(4-Isobutoxyphenyl)methanamine

C₁₁H₁₇NOCAS 4734-09-2179.26 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₁H₁₇NO
Molar mass: 179.26 g/mol
Exact mass: 179.1310 Da
logP: 2.18Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4734-09-2

SMILES

CC(C)COC1=CC=C(C=C1)CN

InChIKey

JBVKKHDTYSDPHA-UHFFFAOYSA-N

InChI

InChI=1S/C11H17NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9H,7-8,12H2,1-2H3

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Names and synonyms

1 names

4-(2-Methylpropoxy)-benzenemethanamine

Work with (4-Isobutoxyphenyl)methanamine

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

4-Methoxybenzylamine2393-23-952 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-850 % similar 4-(Difluoromethoxy)benzylamine177842-14-747 % similar 4-Isopropylbenzylamine4395-73-747 % similar P-Xylylenediamine539-48-046 % similar 4-Phenoxybenzenemethanamine107622-80-045 % similar 4-(Trifluoromethoxy)benzylamine93919-56-343 % similar 4-N-Butylbenzylamine57802-79-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Benzylamino)-2-methylpropan-1-ol10250-27-8 (R)-2-Isopropylamino-2-phenylethanol112211-92-4 Mexiletine31828-71-4 Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-2 N-Methylephedrine552-79-4 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-3

Elsewhere

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