2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine

C16H18ClNOS — CID 64622119

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-11-3-8-16(19-2)14(9-11)15(18)10-20-13-6-4-12(17)5-7-13/h3-9,15H,10,18H2,1-2H3
InChIKeyHFWUNJVSAPHVCY-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine

2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 64622119) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID64622119
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-11-3-8-16(19-2)14(9-11)15(18)10-20-13-6-4-12(17)5-7-13/h3-9,15H,10,18H2,1-2H3
InChIKeyHFWUNJVSAPHVCY-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64627842
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649533
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine (CID 64622119) is 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is HFWUNJVSAPHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11-3-8-16(19-2)14(9-11)15(18)10-20-13-6-4-12(17)5-7-13/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 307.85 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 64622119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).