(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine

C12H12ClNS — CID 43198024

IUPAC(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccccc2Cl)s1
InChIInChI=1S/C12H12ClNS/c1-8-6-7-11(15-8)12(14)9-4-2-3-5-10(9)13/h2-7,12H,14H2,1H3
InChIKeyZPGYSQZPRDLWDA-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.76
Rot. Bonds2

About (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine

(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 43198024) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID43198024
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccccc2Cl)s1
InChIInChI=1S/C12H12ClNS/c1-8-6-7-11(15-8)12(14)9-4-2-3-5-10(9)13/h2-7,12H,14H2,1H3
InChIKeyZPGYSQZPRDLWDA-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
CID 79802346
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 103400599
(2-chlorophenyl)-(thiadiazol-5-yl)methanamine
CID 105099805
(5-methylthiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103127590
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
2-[bis(5-methylthiophen-2-yl)methyl]phenol
CID 135031967
2-[chloro-(2-fluorophenyl)methyl]-5-methylthiophene
CID 61082346
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
1-[(2-chlorophenyl)methylsulfanyl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 103288364
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 62276867
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine (CID 43198024) is (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2ccccc2Cl)s1.
What is the InChIKey of (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is ZPGYSQZPRDLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-8-6-7-11(15-8)12(14)9-4-2-3-5-10(9)13/h2-7,12H,14H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine?
(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 237.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43198024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).