4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline

C17H20FNO — CID 43097522

IUPAC4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccc(F)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C17H20FNO/c1-4-16(13-5-8-15(20-3)9-6-13)19-17-10-7-14(18)11-12(17)2/h5-11,16,19H,4H2,1-3H3
InChIKeyGTEQWGPBJHEOQJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds5

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

4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline (PubChem CID 43097522) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
PubChem CID43097522
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccc(F)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C17H20FNO/c1-4-16(13-5-8-15(20-3)9-6-13)19-17-10-7-14(18)11-12(17)2/h5-11,16,19H,4H2,1-3H3
InChIKeyGTEQWGPBJHEOQJ-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline?
The IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline (CID 43097522) is 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline?
The canonical SMILES for 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline is CCC(Nc1ccc(F)cc1C)c1ccc(OC)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline?
The InChIKey is GTEQWGPBJHEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-16(13-5-8-15(20-3)9-6-13)19-17-10-7-14(18)11-12(17)2/h5-11,16,19H,4H2,1-3H3.
What are the key properties of 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline?
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline has a molecular weight of 273.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline is sourced from PubChem (CID 43097522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).