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

C11H12ClNS2 — CID 80645040

IUPAC(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2sccc2Cl)c(C)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,13H2,1-2H3
InChIKeyWNLGTFICDKXHEE-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.13
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 80645040) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID80645040
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC Name(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2sccc2Cl)c(C)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,13H2,1-2H3
InChIKeyWNLGTFICDKXHEE-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 62276867
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine (CID 80645040) is (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(C(N)c2sccc2Cl)c(C)s1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is WNLGTFICDKXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-6-5-8(7(2)15-6)10(13)11-9(12)3-4-14-11/h3-5,10H,13H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine has a molecular weight of 257.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 80645040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).