N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine

C12H10Cl2FNS — CID 114452910

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESFc1cc(Cl)cc(CNCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H10Cl2FNS/c13-9-3-8(4-10(15)5-9)6-16-7-11-1-2-12(14)17-11/h1-5,16H,6-7H2
InChIKeyQCRLHHNAFDFJAY-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.48
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine

N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine (PubChem CID 114452910) has the molecular formula C12H10Cl2FNS and a molecular weight of 290.19 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
PubChem CID114452910
Molecular FormulaC12H10Cl2FNS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESFc1cc(Cl)cc(CNCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H10Cl2FNS/c13-9-3-8(4-10(15)5-9)6-16-7-11-1-2-12(14)17-11/h1-5,16H,6-7H2
InChIKeyQCRLHHNAFDFJAY-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 114452944
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752
1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 114452746
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 28643615
N-[(3-chloro-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 114452804
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine (CID 114452910) is N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine is Fc1cc(Cl)cc(CNCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is QCRLHHNAFDFJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNS/c13-9-3-8(4-10(15)5-9)6-16-7-11-1-2-12(14)17-11/h1-5,16H,6-7H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 290.19 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 114452910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).