2-(4-fluorophenyl)propane-1,2-diamine

C9H13FN2 — CID 116855534

IUPAC2-(4-fluorophenyl)propane-1,2-diamine
SMILESCC(N)(CN)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5H,6,11-12H2,1H3
InChIKeyNKNXFVRYTFKYJC-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-fluorophenyl)propane-1,2-diamine

2-(4-fluorophenyl)propane-1,2-diamine (PubChem CID 116855534) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)propane-1,2-diamine
PubChem CID116855534
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-(4-fluorophenyl)propane-1,2-diamine
SMILESCC(N)(CN)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5H,6,11-12H2,1H3
InChIKeyNKNXFVRYTFKYJC-UHFFFAOYSA-N
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
(3R)-3-amino-3-(4-fluorophenyl)butanenitrile
CID 131059334
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 84721556
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
1-cyclohexyl-2-(4-fluorophenyl)propan-2-amine
CID 62621993
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
4,4-bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
CID 20502290

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)propane-1,2-diamine?
The IUPAC name of 2-(4-fluorophenyl)propane-1,2-diamine (CID 116855534) is 2-(4-fluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)propane-1,2-diamine?
The canonical SMILES for 2-(4-fluorophenyl)propane-1,2-diamine is CC(N)(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)propane-1,2-diamine?
The InChIKey is NKNXFVRYTFKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5H,6,11-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)propane-1,2-diamine?
2-(4-fluorophenyl)propane-1,2-diamine has a molecular weight of 168.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 116855534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).