(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine

C13H14ClNO2S — CID 105173410

IUPAC(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)s2)c1OC
InChIInChI=1S/C13H14ClNO2S/c1-16-9-5-3-4-8(13(9)17-2)12(15)10-6-7-11(14)18-10/h3-7,12H,15H2,1-2H3
InChIKeyPCHNEQKHLCPPNN-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.47
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine

(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine (PubChem CID 105173410) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
PubChem CID105173410
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)s2)c1OC
InChIInChI=1S/C13H14ClNO2S/c1-16-9-5-3-4-8(13(9)17-2)12(15)10-6-7-11(14)18-10/h3-7,12H,15H2,1-2H3
InChIKeyPCHNEQKHLCPPNN-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
CID 115604916
(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43140072
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
(2,3-dimethoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332876
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine (CID 105173410) is (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(Cl)s2)c1OC.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine?
The InChIKey is PCHNEQKHLCPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-16-9-5-3-4-8(13(9)17-2)12(15)10-6-7-11(14)18-10/h3-7,12H,15H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine?
(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine has a molecular weight of 283.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105173410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).