1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine

C10H14ClFN2 — CID 116948116

IUPAC1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cc(Cl)ccc1F)C(C)N
InChIInChI=1S/C10H14ClFN2/c1-6(13)10(14-2)8-5-7(11)3-4-9(8)12/h3-6,10,14H,13H2,1-2H3
InChIKeyDXHSBMIQSJTFHU-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.09
Rot. Bonds3

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

1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948116) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948116
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cc(Cl)ccc1F)C(C)N
InChIInChI=1S/C10H14ClFN2/c1-6(13)10(14-2)8-5-7(11)3-4-9(8)12/h3-6,10,14H,13H2,1-2H3
InChIKeyDXHSBMIQSJTFHU-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-(5-chloro-2-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950500
2-(5-chloro-2-fluorophenyl)-2-(methylamino)ethanethiol
CID 116830674
1-(5-chloro-2-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905600
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 116850681
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine (CID 116948116) is 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine is CNC(c1cc(Cl)ccc1F)C(C)N.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is DXHSBMIQSJTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-6(13)10(14-2)8-5-7(11)3-4-9(8)12/h3-6,10,14H,13H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.09, 3 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)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).