1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C13H14ClNS — CID 961442

IUPAC1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClNS/c1-10-6-7-12(16-10)9-15-8-11-4-2-3-5-13(11)14/h2-7,15H,8-9H2,1H3
InChIKeyFOJNBGPYVHWAES-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 961442) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID961442
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClNS/c1-10-6-7-12(16-10)9-15-8-11-4-2-3-5-13(11)14/h2-7,15H,8-9H2,1H3
InChIKeyFOJNBGPYVHWAES-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 961442) is 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(CNCc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is FOJNBGPYVHWAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-10-6-7-12(16-10)9-15-8-11-4-2-3-5-13(11)14/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 251.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 961442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).