3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine

C12H12ClNOS — CID 82366084

IUPAC3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
SMILESCOc1ccc(Cl)cc1-c1cc(C)sc1N
InChIInChI=1S/C12H12ClNOS/c1-7-5-10(12(14)16-7)9-6-8(13)3-4-11(9)15-2/h3-6H,14H2,1-2H3
InChIKeyKXHAREDZFTWXOW-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.97
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine

3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine (PubChem CID 82366084) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
PubChem CID82366084
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
SMILESCOc1ccc(Cl)cc1-c1cc(C)sc1N
InChIInChI=1S/C12H12ClNOS/c1-7-5-10(12(14)16-7)9-6-8(13)3-4-11(9)15-2/h3-6H,14H2,1-2H3
InChIKeyKXHAREDZFTWXOW-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
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5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 87577268
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
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5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine (CID 82366084) is 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine is COc1ccc(Cl)cc1-c1cc(C)sc1N.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine?
The InChIKey is KXHAREDZFTWXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-7-5-10(12(14)16-7)9-6-8(13)3-4-11(9)15-2/h3-6H,14H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine?
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine has a molecular weight of 253.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82366084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).