1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine

C10H14ClFN2 — CID 130589138

IUPAC1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2/c1-10(2,13)6-14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3
InChIKeyALXZPTPWXKJZKH-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.63
Rot. Bonds3

About 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine

1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 130589138) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID130589138
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2/c1-10(2,13)6-14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3
InChIKeyALXZPTPWXKJZKH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 107364427
1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 83705089
ethyl 3-(3-chloro-5-fluoroanilino)propanoate
CID 107364886
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
3-chloro-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 115743708
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine (CID 130589138) is 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is ALXZPTPWXKJZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-10(2,13)6-14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3.
What are the key properties of 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 130589138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).