N-(1-phenylpentyl)aniline;hydrochloride

C17H22ClN — CID 44887283

IUPACN-(1-phenylpentyl)aniline;hydrochloride
SMILESCCCCC(Nc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-3-14-17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14H2,1H3;1H
InChIKeyPLGCQVZMBYRHKW-UHFFFAOYSA-N
MW275.82 g/mol
LogP5.45
Rot. Bonds6

About N-(1-phenylpentyl)aniline;hydrochloride

N-(1-phenylpentyl)aniline;hydrochloride (PubChem CID 44887283) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(1-phenylpentyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylpentyl)aniline;hydrochloride
PubChem CID44887283
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN-(1-phenylpentyl)aniline;hydrochloride
SMILESCCCCC(Nc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-3-14-17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14H2,1H3;1H
InChIKeyPLGCQVZMBYRHKW-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.82
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
3-methyl-N-(1-phenylpentyl)pyridin-2-amine
CID 134824082
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
3-(1-phenylhexylamino)benzonitrile
CID 43762515
N-octan-4-ylaniline
CID 12779854

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)aniline;hydrochloride?
The IUPAC name of N-(1-phenylpentyl)aniline;hydrochloride (CID 44887283) is N-(1-phenylpentyl)aniline;hydrochloride.
What is the SMILES notation for N-(1-phenylpentyl)aniline;hydrochloride?
The canonical SMILES for N-(1-phenylpentyl)aniline;hydrochloride is CCCCC(Nc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylpentyl)aniline;hydrochloride?
The InChIKey is PLGCQVZMBYRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-2-3-14-17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14H2,1H3;1H.
What are the key properties of N-(1-phenylpentyl)aniline;hydrochloride?
N-(1-phenylpentyl)aniline;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)aniline;hydrochloride is sourced from PubChem (CID 44887283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).