2-N-(4-fluorophenyl)nonane-1,2-diamine

C15H25FN2 — CID 65378747

IUPAC2-N-(4-fluorophenyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)Nc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-6-7-15(12-17)18-14-10-8-13(16)9-11-14/h8-11,15,18H,2-7,12,17H2,1H3
InChIKeyGZURCHWTKAYUPB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.93
Rot. Bonds9

About 2-N-(4-fluorophenyl)nonane-1,2-diamine

2-N-(4-fluorophenyl)nonane-1,2-diamine (PubChem CID 65378747) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)nonane-1,2-diamine
PubChem CID65378747
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-(4-fluorophenyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)Nc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-6-7-15(12-17)18-14-10-8-13(16)9-11-14/h8-11,15,18H,2-7,12,17H2,1H3
InChIKeyGZURCHWTKAYUPB-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-octan-3-ylaniline
CID 150524995
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
N-tridecan-6-ylaniline
CID 151143089
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
CID 65377491
1,4-difluorobenzene;heptan-1-amine
CID 143706023
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-fluoro-N-heptylaniline
CID 43129312

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)nonane-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)nonane-1,2-diamine (CID 65378747) is 2-N-(4-fluorophenyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)nonane-1,2-diamine is CCCCCCCC(CN)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)nonane-1,2-diamine?
The InChIKey is GZURCHWTKAYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-2-3-4-5-6-7-15(12-17)18-14-10-8-13(16)9-11-14/h8-11,15,18H,2-7,12,17H2,1H3.
What are the key properties of 2-N-(4-fluorophenyl)nonane-1,2-diamine?
2-N-(4-fluorophenyl)nonane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)nonane-1,2-diamine is sourced from PubChem (CID 65378747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).