(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine

C15H17NOS — CID 113389113

IUPAC(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
SMILESCOc1cccc(Sc2ccccc2)c1[C@H](C)N
InChIInChI=1S/C15H17NOS/c1-11(16)15-13(17-2)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11H,16H2,1-2H3/t11-/m0/s1
InChIKeyXUECJNIMZWTIET-NSHDSACASA-N
MW259.37 g/mol
LogP3.87
Rot. Bonds4

About (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine

(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine (PubChem CID 113389113) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
PubChem CID113389113
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
SMILESCOc1cccc(Sc2ccccc2)c1[C@H](C)N
InChIInChI=1S/C15H17NOS/c1-11(16)15-13(17-2)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11H,16H2,1-2H3/t11-/m0/s1
InChIKeyXUECJNIMZWTIET-NSHDSACASA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-methoxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113389119
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
4-amino-2-[2-[(1R)-1-aminoethyl]-3-methoxyphenyl]sulfanyl-1H-pyrimidin-6-one
CID 136825935
4-amino-2-[2-(1-aminoethyl)-3-methoxyphenyl]sulfanyl-1H-pyrimidin-6-one
CID 136825934
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
CID 61290166
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
methoxymethane;phenylsulfanylbenzene
CID 175087336
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine (CID 113389113) is (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine is COc1cccc(Sc2ccccc2)c1[C@H](C)N.
What is the InChIKey of (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine?
The InChIKey is XUECJNIMZWTIET-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(16)15-13(17-2)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11H,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine?
(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine is sourced from PubChem (CID 113389113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).