3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine

C20H27N — CID 81348350

IUPAC3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCc1ccc([C@@H](C)NC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-15(2)14-20(19-8-6-5-7-9-19)21-17(4)18-12-10-16(3)11-13-18/h5-13,15,17,20-21H,14H2,1-4H3/t17-,20?/m1/s1
InChIKeyHEUQITVXLKREIC-DIAVIDTQSA-N
MW281.44 g/mol
LogP5.43
Rot. Bonds6

About 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine

3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 81348350) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID81348350
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCc1ccc([C@@H](C)NC(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-15(2)14-20(19-8-6-5-7-9-19)21-17(4)18-12-10-16(3)11-13-18/h5-13,15,17,20-21H,14H2,1-4H3/t17-,20?/m1/s1
InChIKeyHEUQITVXLKREIC-DIAVIDTQSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine (CID 81348350) is 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine is Cc1ccc([C@@H](C)NC(CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is HEUQITVXLKREIC-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)14-20(19-8-6-5-7-9-19)21-17(4)18-12-10-16(3)11-13-18/h5-13,15,17,20-21H,14H2,1-4H3/t17-,20?/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 81348350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).