1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H11Cl2NS — CID 834263

IUPAC1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2
InChIKeyMQFGHFUOFNIQQW-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.34
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834263) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834263
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2
InChIKeyMQFGHFUOFNIQQW-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 834263) is 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine is Clc1ccc(CNCc2cccs2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is MQFGHFUOFNIQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)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-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).