N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline

C19H25N — CID 43107704

IUPACN-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
SMILESCC(CCc1ccccc1)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N/c1-15(2)18-11-13-19(14-12-18)20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16,20H,9-10H2,1-3H3
InChIKeyOQLVCRIKULZMLL-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.24
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline

N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline (PubChem CID 43107704) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
PubChem CID43107704
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
SMILESCC(CCc1ccccc1)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N/c1-15(2)18-11-13-19(14-12-18)20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16,20H,9-10H2,1-3H3
InChIKeyOQLVCRIKULZMLL-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
N-(5-phenylpentan-2-yl)aniline
CID 134967933
4-(difluoromethylsulfanyl)-N-(4-phenylbutan-2-yl)aniline
CID 43673134
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
4-phenylbutan-2-ylhydrazine
CID 28622
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline?
The IUPAC name of N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline (CID 43107704) is N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline?
The canonical SMILES for N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline is CC(CCc1ccccc1)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline?
The InChIKey is OQLVCRIKULZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)18-11-13-19(14-12-18)20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16,20H,9-10H2,1-3H3.
What are the key properties of N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline?
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline is sourced from PubChem (CID 43107704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).