N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine

C15H13Cl3FN — CID 63420735

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3FN/c1-9(11-3-5-12(16)14(18)7-11)20-8-10-2-4-13(17)15(19)6-10/h2-7,9,20H,8H2,1H3
InChIKeyUWTJHGZPLUCRMX-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.64
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 63420735) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
PubChem CID63420735
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3FN/c1-9(11-3-5-12(16)14(18)7-11)20-8-10-2-4-13(17)15(19)6-10/h2-7,9,20H,8H2,1H3
InChIKeyUWTJHGZPLUCRMX-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
5-[[1-(3,4-dichlorophenyl)ethylamino]methyl]-2-fluorobenzonitrile
CID 103859975
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine (CID 63420735) is N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine is CC(NCc1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is UWTJHGZPLUCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-9(11-3-5-12(16)14(18)7-11)20-8-10-2-4-13(17)15(19)6-10/h2-7,9,20H,8H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine?
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 63420735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).