N-(5-phenylpentan-2-yl)aniline

C17H21N — CID 134967933

IUPACN-(5-phenylpentan-2-yl)aniline
SMILESCC(CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H21N/c1-15(18-17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-7,10-11,13-15,18H,8-9,12H2,1H3
InChIKeyNKEHDUVTSVJFJD-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.51
Rot. Bonds6

About N-(5-phenylpentan-2-yl)aniline

N-(5-phenylpentan-2-yl)aniline (PubChem CID 134967933) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(5-phenylpentan-2-yl)aniline.

Molecular Properties

Compound NameN-(5-phenylpentan-2-yl)aniline
PubChem CID134967933
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-(5-phenylpentan-2-yl)aniline
SMILESCC(CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H21N/c1-15(18-17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-7,10-11,13-15,18H,8-9,12H2,1H3
InChIKeyNKEHDUVTSVJFJD-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
4-(difluoromethylsulfanyl)-N-(4-phenylbutan-2-yl)aniline
CID 43673134
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
3-ethynyl-N-(4-phenylbutan-2-yl)aniline
CID 43095441
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
6-phenyl-N-propylhexan-2-amine
CID 61485022
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpentan-2-yl)aniline?
The IUPAC name of N-(5-phenylpentan-2-yl)aniline (CID 134967933) is N-(5-phenylpentan-2-yl)aniline.
What is the SMILES notation for N-(5-phenylpentan-2-yl)aniline?
The canonical SMILES for N-(5-phenylpentan-2-yl)aniline is CC(CCCc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-(5-phenylpentan-2-yl)aniline?
The InChIKey is NKEHDUVTSVJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-15(18-17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-7,10-11,13-15,18H,8-9,12H2,1H3.
What are the key properties of N-(5-phenylpentan-2-yl)aniline?
N-(5-phenylpentan-2-yl)aniline has a molecular weight of 239.36 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpentan-2-yl)aniline is sourced from PubChem (CID 134967933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).