1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H12ClNS — CID 4719380

IUPAC1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C12H12ClNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKeyVAHYGZPDVIWFJP-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.69
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 4719380) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID4719380
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C12H12ClNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKeyVAHYGZPDVIWFJP-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 4719380) is 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine is Clc1cccc(CNCc2cccs2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is VAHYGZPDVIWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2.
What are the key properties of 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 237.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 4719380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).