N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine

C19H25N — CID 81374312

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)CCc1ccccc1
InChIInChI=1S/C19H25N/c1-15-9-7-8-12-19(15)17(3)20-16(2)13-14-18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3/t16?,17-/m0/s1
InChIKeyIUQBIFANHKBVMB-DJNXLDHESA-N
MW267.42 g/mol
LogP4.67
Rot. Bonds6

About N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine

N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 81374312) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID81374312
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)CCc1ccccc1
InChIInChI=1S/C19H25N/c1-15-9-7-8-12-19(15)17(3)20-16(2)13-14-18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3/t16?,17-/m0/s1
InChIKeyIUQBIFANHKBVMB-DJNXLDHESA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine (CID 81374312) is N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine is Cc1ccccc1[C@H](C)NC(C)CCc1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is IUQBIFANHKBVMB-DJNXLDHESA-N. The full InChI is InChI=1S/C19H25N/c1-15-9-7-8-12-19(15)17(3)20-16(2)13-14-18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3/t16?,17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine?
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 81374312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).