1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine

C12H11Cl2NS — CID 79420026

IUPAC1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1csc(CNCc2ccccc2Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-5-11(16-8-10)7-15-6-9-3-1-2-4-12(9)14/h1-5,8,15H,6-7H2
InChIKeyIPCQJBQHDRJKJR-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.34
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine (PubChem CID 79420026) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
PubChem CID79420026
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1csc(CNCc2ccccc2Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-5-11(16-8-10)7-15-6-9-3-1-2-4-12(9)14/h1-5,8,15H,6-7H2
InChIKeyIPCQJBQHDRJKJR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 79419514
N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 107165782
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(4-chlorothiophen-2-yl)methyl]but-3-yn-1-amine
CID 79427929
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
N-[(4-bromothiophen-2-yl)methyl]-2-[(2-chlorophenyl)methylsulfanyl]ethanamine
CID 103289929
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 79420434
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorothiophen-2-yl)methanamine
CID 79427479
N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
CID 79420637
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine (CID 79420026) is 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine is Clc1csc(CNCc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
The InChIKey is IPCQJBQHDRJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-10-5-11(16-8-10)7-15-6-9-3-1-2-4-12(9)14/h1-5,8,15H,6-7H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine has a molecular weight of 272.20 g/mol, XLogP of 4.34, 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-[(4-chlorothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 79420026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).