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

C15H17FN2 — CID 104591215

IUPAC4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
SMILESCC(CNc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C15H17FN2/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(16)9-14(15)17/h2-9,11,18H,10,17H2,1H3
InChIKeyFYOIAPQTJPKTRT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.62
Rot. Bonds4

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

4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine (PubChem CID 104591215) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
PubChem CID104591215
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
SMILESCC(CNc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C15H17FN2/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(16)9-14(15)17/h2-9,11,18H,10,17H2,1H3
InChIKeyFYOIAPQTJPKTRT-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312
4-bromo-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 55139207
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
4-fluoro-3-(2-phenylpropylamino)benzoic acid
CID 43728030
N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline
CID 99857126

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine (CID 104591215) is 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine is CC(CNc1ccc(F)cc1N)c1ccccc1.
What is the InChIKey of 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine?
The InChIKey is FYOIAPQTJPKTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(16)9-14(15)17/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine?
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 104591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).