(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine

C12H12ClNOS — CID 80529927

IUPAC(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Cl)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11(14)12-10(13)6-7-16-12/h2-7,11H,14H2,1H3
InChIKeyUSQLCEMNEPYMSF-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.46
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine

(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine (PubChem CID 80529927) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
PubChem CID80529927
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Cl)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11(14)12-10(13)6-7-16-12/h2-7,11H,14H2,1H3
InChIKeyUSQLCEMNEPYMSF-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105286186
2-[bromo-(4-methoxyphenyl)methyl]-3-chlorothiophene
CID 80531532
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
3-chloro-2-[1-chloro-3-(4-methoxyphenyl)propyl]thiophene
CID 80530344
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine (CID 80529927) is (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2sccc2Cl)cc1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
The InChIKey is USQLCEMNEPYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11(14)12-10(13)6-7-16-12/h2-7,11H,14H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine?
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 80529927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).