4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine

C20H27N — CID 81351069

IUPAC4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H27N/c1-16(21-17(2)18-11-7-5-8-12-18)15-20(3,4)19-13-9-6-10-14-19/h5-14,16-17,21H,15H2,1-4H3/t16?,17-/m1/s1
InChIKeyAXANXOQCHRWTQD-ZYMOGRSISA-N
MW281.44 g/mol
LogP5.09
Rot. Bonds6

About 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine

4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine (PubChem CID 81351069) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
PubChem CID81351069
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H27N/c1-16(21-17(2)18-11-7-5-8-12-18)15-20(3,4)19-13-9-6-10-14-19/h5-14,16-17,21H,15H2,1-4H3/t16?,17-/m1/s1
InChIKeyAXANXOQCHRWTQD-ZYMOGRSISA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-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

4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine
CID 106225553
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine?
The IUPAC name of 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine (CID 81351069) is 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine is CC(CC(C)(C)c1ccccc1)N[C@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine?
The InChIKey is AXANXOQCHRWTQD-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H27N/c1-16(21-17(2)18-11-7-5-8-12-18)15-20(3,4)19-13-9-6-10-14-19/h5-14,16-17,21H,15H2,1-4H3/t16?,17-/m1/s1.
What are the key properties of 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine?
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine is sourced from PubChem (CID 81351069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).