(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine

C17H21N — CID 81364217

IUPAC(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCCc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-7-6-10-17(13-14)15(2)18-12-11-16-8-4-3-5-9-16/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyZREQWFFVLWLXHX-OAHLLOKOSA-N
MW239.36 g/mol
LogP3.89
Rot. Bonds5

About (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine

(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine (PubChem CID 81364217) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
PubChem CID81364217
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCCc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-7-6-10-17(13-14)15(2)18-12-11-16-8-4-3-5-9-16/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyZREQWFFVLWLXHX-OAHLLOKOSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218
3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanenitrile
CID 81360357

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine (CID 81364217) is (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine is Cc1cccc([C@@H](C)NCCc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine?
The InChIKey is ZREQWFFVLWLXHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-6-10-17(13-14)15(2)18-12-11-16-8-4-3-5-9-16/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine?
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 81364217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).