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

C15H15ClFN — CID 43178076

IUPACN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN/c1-11(12-6-8-14(17)9-7-12)18-10-13-4-2-3-5-15(13)16/h2-9,11,18H,10H2,1H3
InChIKeyMRTOAGWECPIHBG-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.33
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43178076) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43178076
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN/c1-11(12-6-8-14(17)9-7-12)18-10-13-4-2-3-5-15(13)16/h2-9,11,18H,10H2,1H3
InChIKeyMRTOAGWECPIHBG-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
[2-Amino-1-(2-Chlorophenyl)Ethyl]Dimethylamine
CID 3158580
1-(2-Chlorophenyl)ethanamine
CID 299767
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
1-((2-Chlorophenyl)methyl)piperazine
CID 580769

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 43178076) is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is CC(NCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is MRTOAGWECPIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-11(12-6-8-14(17)9-7-12)18-10-13-4-2-3-5-15(13)16/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43178076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).