2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine

C10H15FN2 — CID 82503971

IUPAC2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
SMILESCc1cc(NC(C)CN)ccc1F
InChIInChI=1S/C10H15FN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyGAFISZRLZFJLKE-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.89
Rot. Bonds3

About 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine

2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine (PubChem CID 82503971) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
PubChem CID82503971
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
SMILESCc1cc(NC(C)CN)ccc1F
InChIInChI=1S/C10H15FN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyGAFISZRLZFJLKE-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-fluoro-3-methylphenyl)-3-methylbutane-1,2-diamine
CID 115137867
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
4-fluoro-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115922494
3-amino-N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115180231
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine (CID 82503971) is 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine is Cc1cc(NC(C)CN)ccc1F.
What is the InChIKey of 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine?
The InChIKey is GAFISZRLZFJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7-5-9(3-4-10(7)11)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine?
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 82503971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).