1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine

C10H14ClFN2 — CID 114842824

IUPAC1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-14(2)10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10H,6,13H2,1-2H3
InChIKeyZVUKCWWSUZSNPG-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 114842824) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID114842824
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-14(2)10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10H,6,13H2,1-2H3
InChIKeyZVUKCWWSUZSNPG-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine 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

1-(4-chloro-2-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114843084
1-(4-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842933
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 114842967
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869
N-[(4-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842949
1-(4-chloro-2-fluorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 114843150
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
CID 112562799
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine (CID 114842824) is 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is ZVUKCWWSUZSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-14(2)10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10H,6,13H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 114842824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).