(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine

C13H14ClNOS — CID 43464562

IUPAC(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sccc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7,12H,15H2,1-2H3
InChIKeyGNNFMNHXHXKUCR-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.77
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine

(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 43464562) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID43464562
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sccc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7,12H,15H2,1-2H3
InChIKeyGNNFMNHXHXKUCR-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine (CID 43464562) is (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine is COc1ccc(C(N)c2sccc2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is GNNFMNHXHXKUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7,12H,15H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43464562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).