N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine

C15H15ClFN — CID 105395732

IUPACN-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H15ClFN/c1-2-18-10-11-3-5-12(6-4-11)14-9-13(17)7-8-15(14)16/h3-9,18H,2,10H2,1H3
InChIKeyMXYYVGZNAJFLLD-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.26
Rot. Bonds4

About N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine

N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine (PubChem CID 105395732) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
PubChem CID105395732
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H15ClFN/c1-2-18-10-11-3-5-12(6-4-11)14-9-13(17)7-8-15(14)16/h3-9,18H,2,10H2,1H3
InChIKeyMXYYVGZNAJFLLD-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
CID 107615744

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine (CID 105395732) is N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc(F)ccc2Cl)cc1.
What is the InChIKey of N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is MXYYVGZNAJFLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-2-18-10-11-3-5-12(6-4-11)14-9-13(17)7-8-15(14)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine?
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105395732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).