N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline

C18H23N — CID 86314144

IUPACN-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
SMILESCC(C)C[C@@H](Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H23N/c1-15(2)13-18(14-16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-/m0/s1
InChIKeyIWKQCNPHNGSIIT-SFHVURJKSA-N
MW253.39 g/mol
LogP4.76
Rot. Bonds6

About N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline

N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline (PubChem CID 86314144) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
PubChem CID86314144
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
SMILESCC(C)C[C@@H](Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H23N/c1-15(2)13-18(14-16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-/m0/s1
InChIKeyIWKQCNPHNGSIIT-SFHVURJKSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
4-(2,4-dimethylpentyl)-N-phenylaniline
CID 71054537
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
ethane;2-methylpropylbenzene
CID 162200929
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
1-benzyl-4-(2,4-dimethylpentyl)benzene
CID 147045778
anilino-benzyl-di(propan-2-yl)phosphanium
CID 101188332
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline?
The IUPAC name of N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline (CID 86314144) is N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline.
What is the SMILES notation for N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline?
The canonical SMILES for N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline is CC(C)C[C@@H](Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline?
The InChIKey is IWKQCNPHNGSIIT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N/c1-15(2)13-18(14-16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline?
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline has a molecular weight of 253.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline is sourced from PubChem (CID 86314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).