N-[1-(4-fluorophenyl)propyl]-2-methylaniline

C16H18FN — CID 43106862

IUPACN-[1-(4-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-3-15(13-8-10-14(17)11-9-13)18-16-7-5-4-6-12(16)2/h4-11,15,18H,3H2,1-2H3
InChIKeyCNIDGBLKJUMVRC-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.70
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-2-methylaniline

N-[1-(4-fluorophenyl)propyl]-2-methylaniline (PubChem CID 43106862) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-methylaniline
PubChem CID43106862
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-3-15(13-8-10-14(17)11-9-13)18-16-7-5-4-6-12(16)2/h4-11,15,18H,3H2,1-2H3
InChIKeyCNIDGBLKJUMVRC-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

N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
CID 63453355
N-[1-(4-fluorophenyl)propyl]-2-prop-2-enylsulfanylaniline
CID 63449265
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methylaniline (CID 43106862) is N-[1-(4-fluorophenyl)propyl]-2-methylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-methylaniline is CCC(Nc1ccccc1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The InChIKey is CNIDGBLKJUMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-15(13-8-10-14(17)11-9-13)18-16-7-5-4-6-12(16)2/h4-11,15,18H,3H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
N-[1-(4-fluorophenyl)propyl]-2-methylaniline 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 N-[1-(4-fluorophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 43106862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).