4-fluoro-3-methyl-N-(1-phenylpropyl)aniline

C16H18FN — CID 62809853

IUPAC4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(F)c(C)c1)c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-16(13-7-5-4-6-8-13)18-14-9-10-15(17)12(2)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyXLTOEKRAHZJIMN-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.70
Rot. Bonds4

About 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline

4-fluoro-3-methyl-N-(1-phenylpropyl)aniline (PubChem CID 62809853) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
PubChem CID62809853
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(F)c(C)c1)c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-16(13-7-5-4-6-8-13)18-14-9-10-15(17)12(2)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyXLTOEKRAHZJIMN-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
CID 63455924
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
2-fluoro-4-(1-phenylpropylamino)benzenecarbothioamide
CID 115368247
4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
CID 62809842
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-(4-fluoro-3-methylanilino)butanoic acid
CID 64670151
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
4-(1-phenylpropylamino)phenol
CID 43742837
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline?
The IUPAC name of 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline (CID 62809853) is 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline is CCC(Nc1ccc(F)c(C)c1)c1ccccc1.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline?
The InChIKey is XLTOEKRAHZJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-16(13-7-5-4-6-8-13)18-14-9-10-15(17)12(2)11-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline?
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 62809853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).