[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine

C15H16ClNOS — CID 64620304

IUPAC[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CSc1ccccc1Cl
InChIInChI=1S/C15H16ClNOS/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-8H,9-10,17H2,1H3
InChIKeyGTTQUDBYQBSJDE-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.10
Rot. Bonds5

About [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine

[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine (PubChem CID 64620304) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
PubChem CID64620304
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CSc1ccccc1Cl
InChIInChI=1S/C15H16ClNOS/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-8H,9-10,17H2,1H3
InChIKeyGTTQUDBYQBSJDE-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
CID 43302415
1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65326046
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654
N-[[3-[(2-fluorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64621443
1-[3-[(2-chlorophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 60624649
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine (CID 64620304) is [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CSc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine?
The InChIKey is GTTQUDBYQBSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-14-7-6-11(9-17)8-12(14)10-19-15-5-3-2-4-13(15)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine?
[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine has a molecular weight of 293.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64620304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).