chempirical

p-Heptyloxyaniline

C13H21NOCAS 39905-44-7207.32 g/mol

Open in Covalent MOL file
ONH2
EtherPrimary amine

Properties

Molecular formula
C13H21NO
Molar mass
207.32 g/mol
Exact mass
207.1623 Da
logP
3.62Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7

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
39905-44-7
SMILES
CCCCCCCOC1=CC=C(C=C1)N
InChIKey
LTGYTOOKQWFTQG-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3

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Names and synonyms

1 names
  • 4-Heptyloxyaniline

Work with p-Heptyloxyaniline

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-(Octyloxy)benzenamine39905-45-8100 % similar 4-(Hexyloxy)aniline39905-57-2100 % similar 4-Butoxybenzenamine4344-55-286 % 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

N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide351329-88-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook