1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine

C9H12ClFN2 — CID 62066014

IUPAC1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H12ClFN2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3
InChIKeyOEZXGWAPWJPAIU-UHFFFAOYSA-N
MW202.66 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine

1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 62066014) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID62066014
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H12ClFN2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3
InChIKeyOEZXGWAPWJPAIU-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62071197
1-(4-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107992287
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine (CID 62066014) is 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine is CNC(CN)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is OEZXGWAPWJPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine?
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 202.66 g/mol, XLogP of 1.70, 3 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-methylethane-1,2-diamine is sourced from PubChem (CID 62066014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).