N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C18H22ClFN2 — CID 782502

IUPACN'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H22ClFN2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-17(19)9-6-10-18(16)20/h3-10H,11-14H2,1-2H3
InChIKeyZCLHNTDJFTVBFW-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.04
Rot. Bonds7

About N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 782502) has the molecular formula C18H22ClFN2 and a molecular weight of 320.84 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID782502
Molecular FormulaC18H22ClFN2
Molecular Weight320.84 g/mol
Exact Mass320.15
IUPAC NameN'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H22ClFN2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-17(19)9-6-10-18(16)20/h3-10H,11-14H2,1-2H3
InChIKeyZCLHNTDJFTVBFW-UHFFFAOYSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
n,n-Bis(2-chloro-6-fluorobenzyl)hydroxylamine
CID 2736012
F16357
CID 19323337
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Chlorcyclizine, (R)-
CID 688438
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 782502) is N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)Cc1c(F)cccc1Cl.
What is the InChIKey of N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is ZCLHNTDJFTVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-17(19)9-6-10-18(16)20/h3-10H,11-14H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 320.84 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 782502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).