N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline

C17H21N — CID 10837600

IUPACN-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
SMILESCC[C@@H](C)[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-3-14(2)17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14-,17+/m1/s1
InChIKeyKPCRXARAKGFJBZ-PBHICJAKSA-N
MW239.36 g/mol
LogP4.89
Rot. Bonds5

About N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline

N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline (PubChem CID 10837600) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline.

Molecular Properties

Compound NameN-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
PubChem CID10837600
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
SMILESCC[C@@H](C)[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-3-14(2)17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14-,17+/m1/s1
InChIKeyKPCRXARAKGFJBZ-PBHICJAKSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-(2-nitro-1-phenylpropyl)aniline
CID 6710790
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
S-ethyl 3-anilino-2-methyl-3-phenylpropanethioate
CID 10661895
N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 43489608
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
methyl (2S,3S)-2-[(S)-anilino(phenyl)methyl]-3-hydroxybutanoate
CID 132509763
N-[(1R,2R)-2-(3-methylbutylsulfanyl)-1,2-diphenylethyl]aniline
CID 102472586

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline?
The IUPAC name of N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline (CID 10837600) is N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline.
What is the SMILES notation for N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline?
The canonical SMILES for N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline is CC[C@@H](C)[C@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline?
The InChIKey is KPCRXARAKGFJBZ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H21N/c1-3-14(2)17(15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline?
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline is sourced from PubChem (CID 10837600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).