N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C16H18ClFN2 — CID 62556464

IUPACN-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-20(12-13-6-2-4-8-15(13)18)11-10-19-16-9-5-3-7-14(16)17/h2-9,19H,10-12H2,1H3
InChIKeyKDWIQLOUBQXZHX-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.02
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62556464) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62556464
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-20(12-13-6-2-4-8-15(13)18)11-10-19-16-9-5-3-7-14(16)17/h2-9,19H,10-12H2,1H3
InChIKeyKDWIQLOUBQXZHX-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63866520
N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62559494
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 62556464) is N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1Cl)Cc1ccccc1F.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is KDWIQLOUBQXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-20(12-13-6-2-4-8-15(13)18)11-10-19-16-9-5-3-7-14(16)17/h2-9,19H,10-12H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).