(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine

C13H14ClNS — CID 105018799

IUPAC(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2sccc2Cl)c1
InChIInChI=1S/C13H14ClNS/c1-2-9-4-3-5-10(8-9)12(15)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3
InChIKeyIXQXHXNVHURITL-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.01
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine

(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine (PubChem CID 105018799) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
PubChem CID105018799
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2sccc2Cl)c1
InChIInChI=1S/C13H14ClNS/c1-2-9-4-3-5-10(8-9)12(15)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3
InChIKeyIXQXHXNVHURITL-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine
CID 114033795
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
[(3-ethylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105326396
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine (CID 105018799) is (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine?
The InChIKey is IXQXHXNVHURITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-2-9-4-3-5-10(8-9)12(15)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine?
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine has a molecular weight of 251.78 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).