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

C10H14ClFN2 — CID 107364427

IUPAC2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2/c1-10(2,6-13)14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3
InChIKeyPJNMSZVHEYYHEN-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.63
Rot. Bonds3

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

2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 107364427) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID107364427
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2/c1-10(2,6-13)14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3
InChIKeyPJNMSZVHEYYHEN-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)-2,5-dimethylhexane-1,2-diamine
CID 107364651
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine
CID 107364435
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine (CID 107364427) is 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine is CC(C)(CN)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is PJNMSZVHEYYHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-10(2,6-13)14-9-4-7(11)3-8(12)5-9/h3-5,14H,6,13H2,1-2H3.
What are the key properties of 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine?
2-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 2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 107364427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).