4-(Octyloxy)benzenamine

C14H23NOCAS 39905-45-8221.34 g/mol

Open in Covalent MOL file
ONH2
EtherPrimary amine

Properties

Molecular formula
C14H23NO
Molar mass
221.34 g/mol
Exact mass
221.1780 Da
logP
4.01Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39905-45-8
SMILES
CCCCCCCCOc1ccc(N)cc1
InChIKey
ACYGZCHBIGKPGR-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12,15H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 4-(octyloxy)-
  • 4-(Octyloxy)aniline
  • p-Octyloxyaniline
  • 4-Octyloxyphenylamine

Work with 4-(Octyloxy)benzenamine

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

p-Heptyloxyaniline39905-44-7100 % similar 4-Hexyloxyaniline39905-57-2100 % similar 4-Butyloxyaniline4344-55-286 % similar 4-Propoxybenzenamine4469-80-172 % similar 4-(Heptyloxy)phenol13037-86-064 % similar 4-(Hexyloxy)phenol18979-55-064 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-364 % similar 4-(Octyloxy)phenol3780-50-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Acetamido-3,5-dimethyladamantane19982-07-1 N,N-Dibutyl-3-aminophenol43141-69-1 5-Amino-2,4-bis(1,1-dimethylethyl)phenol873055-58-4

Elsewhere

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