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

C17H21NS — CID 81360352

IUPAC(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCCSc2ccccc2)c1
InChIInChI=1S/C17H21NS/c1-14-7-6-8-16(13-14)15(2)18-11-12-19-17-9-4-3-5-10-17/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyRIEYSDQPONZSKF-OAHLLOKOSA-N
MW271.43 g/mol
LogP4.44
Rot. Bonds6

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

(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 81360352) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID81360352
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCCSc2ccccc2)c1
InChIInChI=1S/C17H21NS/c1-14-7-6-8-16(13-14)15(2)18-11-12-19-17-9-4-3-5-10-17/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyRIEYSDQPONZSKF-OAHLLOKOSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
1-(3-nitrophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60682075
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine (CID 81360352) is (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine is Cc1cccc([C@@H](C)NCCSc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is RIEYSDQPONZSKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NS/c1-14-7-6-8-16(13-14)15(2)18-11-12-19-17-9-4-3-5-10-17/h3-10,13,15,18H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 81360352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).