(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine

C17H21N — CID 79040987

IUPAC(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
SMILESCc1cccc(C(C)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-13-8-7-11-17(12-13)15(3)18-14(2)16-9-5-4-6-10-16/h4-12,14-15,18H,1-3H3/t14-,15?/m1/s1
InChIKeyQEBLRCRVPWTVPJ-GICMACPYSA-N
MW239.36 g/mol
LogP4.41
Rot. Bonds4

About (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine

(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine (PubChem CID 79040987) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
PubChem CID79040987
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
SMILESCc1cccc(C(C)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-13-8-7-11-17(12-13)15(3)18-14(2)16-9-5-4-6-10-16/h4-12,14-15,18H,1-3H3/t14-,15?/m1/s1
InChIKeyQEBLRCRVPWTVPJ-GICMACPYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine (CID 79040987) is (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine is Cc1cccc(C(C)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The InChIKey is QEBLRCRVPWTVPJ-GICMACPYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-8-7-11-17(12-13)15(3)18-14(2)16-9-5-4-6-10-16/h4-12,14-15,18H,1-3H3/t14-,15?/m1/s1.
What are the key properties of (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine has a molecular weight of 239.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 79040987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).