N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

C16H17ClFN — CID 141306546

IUPACN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3
InChIKeyZQUDNVNFRBEOPV-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.50
Rot. Bonds5

About N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (PubChem CID 141306546) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
PubChem CID141306546
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3
InChIKeyZQUDNVNFRBEOPV-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
n,n-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
CID 2736012
Dibenzyldimethylammonium chloride
CID 101569
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
{3-[Benzyl(methyl)amino]propyl}[(4-chlorophenyl)methyl]amine
CID 29048070
N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 127045288
4-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (CID 141306546) is N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1c(F)cccc1Cl.
What is the InChIKey of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The InChIKey is ZQUDNVNFRBEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3.
What are the key properties of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 141306546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).