N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine

C15H14Cl2FN — CID 114841425

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyOVKTXNRHHIYNHR-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.98
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine

N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 114841425) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID114841425
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyOVKTXNRHHIYNHR-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine (CID 114841425) is N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine is CC(NCc1ccc(Cl)cc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is OVKTXNRHHIYNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 114841425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).