1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

C10H14ClFN2 — CID 105395209

IUPAC1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cc(F)ccc1Cl
InChIInChI=1S/C10H14ClFN2/c1-14(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,6,13H2,1-2H3
InChIKeyAFMXOWQPPFPRAJ-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.04
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 105395209) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID105395209
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cc(F)ccc1Cl
InChIInChI=1S/C10H14ClFN2/c1-14(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,6,13H2,1-2H3
InChIKeyAFMXOWQPPFPRAJ-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-(2-chloro-5-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

(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
CID 83819971
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
CID 105397495

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 105395209) is 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AFMXOWQPPFPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-14(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,6,13H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
1-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 105395209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).