N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine

C12H10ClF2NS — CID 79420434

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(Cl)cs2)cc1F
InChIInChI=1S/C12H10ClF2NS/c13-9-4-10(17-7-9)6-16-5-8-1-2-11(14)12(15)3-8/h1-4,7,16H,5-6H2
InChIKeyDXKXVVZILLTKDW-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.97
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine (PubChem CID 79420434) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
PubChem CID79420434
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(Cl)cs2)cc1F
InChIInChI=1S/C12H10ClF2NS/c13-9-4-10(17-7-9)6-16-5-8-1-2-11(14)12(15)3-8/h1-4,7,16H,5-6H2
InChIKeyDXKXVVZILLTKDW-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79552851
1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79419312
5-[[(4-chlorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545494
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 60744264
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026
N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
CID 79420302
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106700156
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[(4-chlorothiophen-2-yl)methyl]prop-2-en-1-amine
CID 79420637

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine (CID 79420434) is N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine is Fc1ccc(CNCc2cc(Cl)cs2)cc1F.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The InChIKey is DXKXVVZILLTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c13-9-4-10(17-7-9)6-16-5-8-1-2-11(14)12(15)3-8/h1-4,7,16H,5-6H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine has a molecular weight of 273.74 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 79420434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).