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

C15H14ClF2N — CID 43200190

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-10(12-4-7-15(18)14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10,19H,9H2,1H3
InChIKeyUGJKWHCINJAQOV-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 43200190) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID43200190
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-10(12-4-7-15(18)14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10,19H,9H2,1H3
InChIKeyUGJKWHCINJAQOV-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
1-(3-chloro-4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884734
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 43200190) is 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine is CC(NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is UGJKWHCINJAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(12-4-7-15(18)14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine?
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43200190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).