3-fluoro-N-(4-phenylbutan-2-yl)aniline

C16H18FN — CID 43095548

IUPAC3-fluoro-N-(4-phenylbutan-2-yl)aniline
SMILESCC(CCc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-13(10-11-14-6-3-2-4-7-14)18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyYSJASXLSGOIQKE-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.26
Rot. Bonds5

About 3-fluoro-N-(4-phenylbutan-2-yl)aniline

3-fluoro-N-(4-phenylbutan-2-yl)aniline (PubChem CID 43095548) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-fluoro-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(4-phenylbutan-2-yl)aniline
PubChem CID43095548
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name3-fluoro-N-(4-phenylbutan-2-yl)aniline
SMILESCC(CCc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-13(10-11-14-6-3-2-4-7-14)18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyYSJASXLSGOIQKE-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N-(4-phenylbutan-2-yl)aniline 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

3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
2-(3-fluoroanilino)-4-phenylbutanoic acid
CID 62880426
3-ethynyl-N-(4-phenylbutan-2-yl)aniline
CID 43095441
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
N-(5-phenylpentan-2-yl)aniline
CID 134967933
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 3-fluoro-N-(4-phenylbutan-2-yl)aniline (CID 43095548) is 3-fluoro-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 3-fluoro-N-(4-phenylbutan-2-yl)aniline is CC(CCc1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is YSJASXLSGOIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-13(10-11-14-6-3-2-4-7-14)18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3.
What are the key properties of 3-fluoro-N-(4-phenylbutan-2-yl)aniline?
3-fluoro-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 243.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 43095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).