1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine

C10H14ClFN2 — CID 118021340

IUPAC1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyWKRXWHVBKBNYRL-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.09
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine

1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 118021340) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID118021340
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyWKRXWHVBKBNYRL-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-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-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
methyl (3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 78974753
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
(1S)-1-(4-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272750
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 118021340) is 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine is CNCCC(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is WKRXWHVBKBNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7/h2-3,6,10,14H,4-5,13H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine?
1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 118021340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).