N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline

C17H20FNO — CID 43672253

IUPACN-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(14-7-9-15(18)10-8-14)19-16-6-4-5-13(11-16)12-20-2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyHRWAGDFBGCADKU-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.54
Rot. Bonds6

About N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline

N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline (PubChem CID 43672253) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
PubChem CID43672253
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(14-7-9-15(18)10-8-14)19-16-6-4-5-13(11-16)12-20-2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyHRWAGDFBGCADKU-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
CID 43672248
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-[3-[1-(4-fluorophenyl)propylamino]phenyl]-2-hydroxyacetamide
CID 56794102
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline (CID 43672253) is N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline is CCC(Nc1cccc(COC)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline?
The InChIKey is HRWAGDFBGCADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(14-7-9-15(18)10-8-14)19-16-6-4-5-13(11-16)12-20-2/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline?
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline has a molecular weight of 273.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).