3-fluoro-N-(1-phenylbutan-2-yl)aniline

C16H18FN — CID 79007275

IUPAC3-fluoro-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-2-15(11-13-7-4-3-5-8-13)18-16-10-6-9-14(17)12-16/h3-10,12,15,18H,2,11H2,1H3
InChIKeyXLLHTMCPPGLCFY-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.26
Rot. Bonds5

About 3-fluoro-N-(1-phenylbutan-2-yl)aniline

3-fluoro-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79007275) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-fluoro-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(1-phenylbutan-2-yl)aniline
PubChem CID79007275
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name3-fluoro-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-2-15(11-13-7-4-3-5-8-13)18-16-10-6-9-14(17)12-16/h3-10,12,15,18H,2,11H2,1H3
InChIKeyXLLHTMCPPGLCFY-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

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Related Compounds

[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 3-fluoro-N-(1-phenylbutan-2-yl)aniline (CID 79007275) is 3-fluoro-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 3-fluoro-N-(1-phenylbutan-2-yl)aniline is CCC(Cc1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is XLLHTMCPPGLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-2-15(11-13-7-4-3-5-8-13)18-16-10-6-9-14(17)12-16/h3-10,12,15,18H,2,11H2,1H3.
What are the key properties of 3-fluoro-N-(1-phenylbutan-2-yl)aniline?
3-fluoro-N-(1-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-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79007275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).