[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine

C14H14ClNOS — CID 114070340

IUPAC[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
SMILESCOc1ccccc1Sc1c(Cl)cccc1CN
InChIInChI=1S/C14H14ClNOS/c1-17-12-7-2-3-8-13(12)18-14-10(9-16)5-4-6-11(14)15/h2-8H,9,16H2,1H3
InChIKeyGECAONSPGWRYGC-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.96
Rot. Bonds4

About [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine

[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine (PubChem CID 114070340) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
PubChem CID114070340
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
SMILESCOc1ccccc1Sc1c(Cl)cccc1CN
InChIInChI=1S/C14H14ClNOS/c1-17-12-7-2-3-8-13(12)18-14-10(9-16)5-4-6-11(14)15/h2-8H,9,16H2,1H3
InChIKeyGECAONSPGWRYGC-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
[3-(2-methoxyphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514839
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
CID 64620304
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride
CID 141087087
[3-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]methanamine
CID 114070361

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine (CID 114070340) is [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine is COc1ccccc1Sc1c(Cl)cccc1CN.
What is the InChIKey of [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine?
The InChIKey is GECAONSPGWRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-17-12-7-2-3-8-13(12)18-14-10(9-16)5-4-6-11(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine?
[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine has a molecular weight of 279.79 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 114070340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).