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

C10H10ClNS2 — CID 102841415

IUPAC(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1sccc1Cl
InChIInChI=1S/C10H10ClNS2/c1-6-7(2-4-13-6)9(12)10-8(11)3-5-14-10/h2-5,9H,12H2,1H3
InChIKeyQBKJOPDMBKBHMC-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.82
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841415) has the molecular formula C10H10ClNS2 and a molecular weight of 243.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102841415
Molecular FormulaC10H10ClNS2
Molecular Weight243.78 g/mol
Exact Mass242.99
IUPAC Name(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1sccc1Cl
InChIInChI=1S/C10H10ClNS2/c1-6-7(2-4-13-6)9(12)10-8(11)3-5-14-10/h2-5,9H,12H2,1H3
InChIKeyQBKJOPDMBKBHMC-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102841186
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
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-methylthiophen-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine (CID 102841415) is (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine is Cc1sccc1C(N)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is QBKJOPDMBKBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS2/c1-6-7(2-4-13-6)9(12)10-8(11)3-5-14-10/h2-5,9H,12H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 243.78 g/mol, XLogP of 3.82, 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-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).