N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine

C12H11Cl2NS — CID 54798944

IUPACN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccs2)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2
InChIKeyDOPSUAHXWSXPJY-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.34
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine

N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 54798944) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID54798944
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccs2)c1
InChIInChI=1S/C12H11Cl2NS/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2
InChIKeyDOPSUAHXWSXPJY-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

2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43217065
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43087581
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66407617
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine (CID 54798944) is N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine is Clc1cc(Cl)cc(CNCc2cccs2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DOPSUAHXWSXPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine 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 N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 54798944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).