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

C15H25FN2 — CID 65377519

IUPAC2-N-(2-fluorophenyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)Nc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-6-9-13(12-17)18-15-11-8-7-10-14(15)16/h7-8,10-11,13,18H,2-6,9,12,17H2,1H3
InChIKeySUYILNIYRBDTLR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.93
Rot. Bonds9

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

2-N-(2-fluorophenyl)nonane-1,2-diamine (PubChem CID 65377519) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)nonane-1,2-diamine
PubChem CID65377519
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-(2-fluorophenyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)Nc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-6-9-13(12-17)18-15-11-8-7-10-14(15)16/h7-8,10-11,13,18H,2-6,9,12,17H2,1H3
InChIKeySUYILNIYRBDTLR-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

2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
2-(2-fluoroanilino)heptanenitrile
CID 61005429
2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
CID 65378979
2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114
N-tridecan-6-ylaniline
CID 151143089
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)nonane-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)nonane-1,2-diamine (CID 65377519) is 2-N-(2-fluorophenyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)nonane-1,2-diamine is CCCCCCCC(CN)Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)nonane-1,2-diamine?
The InChIKey is SUYILNIYRBDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-2-3-4-5-6-9-13(12-17)18-15-11-8-7-10-14(15)16/h7-8,10-11,13,18H,2-6,9,12,17H2,1H3.
What are the key properties of 2-N-(2-fluorophenyl)nonane-1,2-diamine?
2-N-(2-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-(2-fluorophenyl)nonane-1,2-diamine is sourced from PubChem (CID 65377519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).