1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

C12H18ClFN2 — CID 116950500

IUPAC1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H18ClFN2/c1-8(2)16-7-12(15-3)10-6-9(13)4-5-11(10)14/h4-6,8,12,15-16H,7H2,1-3H3
InChIKeyYFYPMCCJNCTXRK-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.74
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116950500) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116950500
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H18ClFN2/c1-8(2)16-7-12(15-3)10-6-9(13)4-5-11(10)14/h4-6,8,12,15-16H,7H2,1-3H3
InChIKeyYFYPMCCJNCTXRK-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-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

2-(5-chloro-2-fluorophenyl)-2-(methylamino)ethanethiol
CID 116830674
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 114886081
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114886218
1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 116948116
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 116950500) is 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNC(CNC(C)C)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YFYPMCCJNCTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2/c1-8(2)16-7-12(15-3)10-6-9(13)4-5-11(10)14/h4-6,8,12,15-16H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 244.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116950500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).