2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine

C15H17FN2 — CID 54931336

IUPAC2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C15H17FN2/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,17H2
InChIKeyKCLSDQDQNZMHFE-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.45
Rot. Bonds5

About 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine

2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine (PubChem CID 54931336) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
PubChem CID54931336
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C15H17FN2/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,17H2
InChIKeyKCLSDQDQNZMHFE-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 62379839
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
1-N-[3-(diethylamino)propyl]-2-fluorobenzene-1,4-diamine
CID 28972669
3-amino-4-(3-phenylpropylamino)benzenesulfonamide
CID 60906277
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine
CID 57304558
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine (CID 54931336) is 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine is Nc1ccc(NCCCc2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine?
The InChIKey is KCLSDQDQNZMHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,17H2.
What are the key properties of 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine?
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 54931336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).