2-N-(3-fluorophenyl)heptane-1,2-diamine

C13H21FN2 — CID 65383612

IUPAC2-N-(3-fluorophenyl)heptane-1,2-diamine
SMILESCCCCCC(CN)Nc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-2-3-4-7-13(10-15)16-12-8-5-6-11(14)9-12/h5-6,8-9,13,16H,2-4,7,10,15H2,1H3
InChIKeyMOPRUOMBLYLHHR-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.15
Rot. Bonds7

About 2-N-(3-fluorophenyl)heptane-1,2-diamine

2-N-(3-fluorophenyl)heptane-1,2-diamine (PubChem CID 65383612) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)heptane-1,2-diamine
PubChem CID65383612
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-(3-fluorophenyl)heptane-1,2-diamine
SMILESCCCCCC(CN)Nc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-2-3-4-7-13(10-15)16-12-8-5-6-11(14)9-12/h5-6,8-9,13,16H,2-4,7,10,15H2,1H3
InChIKeyMOPRUOMBLYLHHR-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-(3-fluorophenyl)heptane-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-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
CID 174010582
CID 174010582
2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
CID 65382983
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)heptane-1,2-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)heptane-1,2-diamine (CID 65383612) is 2-N-(3-fluorophenyl)heptane-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)heptane-1,2-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)heptane-1,2-diamine is CCCCCC(CN)Nc1cccc(F)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)heptane-1,2-diamine?
The InChIKey is MOPRUOMBLYLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-2-3-4-7-13(10-15)16-12-8-5-6-11(14)9-12/h5-6,8-9,13,16H,2-4,7,10,15H2,1H3.
What are the key properties of 2-N-(3-fluorophenyl)heptane-1,2-diamine?
2-N-(3-fluorophenyl)heptane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)heptane-1,2-diamine is sourced from PubChem (CID 65383612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).