[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine

C15H16ClNOS — CID 65338654

IUPAC[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CSc2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C15H16ClNOS/c1-18-15-7-2-11(8-12(15)9-17)10-19-14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3
InChIKeyURGHRHCYCCDNNJ-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.10
Rot. Bonds5

About [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine

[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine (PubChem CID 65338654) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
PubChem CID65338654
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CSc2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C15H16ClNOS/c1-18-15-7-2-11(8-12(15)9-17)10-19-14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3
InChIKeyURGHRHCYCCDNNJ-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

[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
CID 113373738
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
[2-methoxy-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65340371
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
CID 60864407
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
2-[4-[(4-chlorophenyl)methylsulfanyl]-2-methylphenyl]ethanamine
CID 114792485
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384743
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine (CID 65338654) is [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine is COc1ccc(CSc2ccc(Cl)cc2)cc1CN.
What is the InChIKey of [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The InChIKey is URGHRHCYCCDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-15-7-2-11(8-12(15)9-17)10-19-14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3.
What are the key properties of [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
[5-[(4-chlorophenyl)sulfanylmethyl]-2-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 [5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).