3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline

C17H20FNO — CID 43094821

IUPAC3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-11-20-17-9-7-14(8-10-17)13(2)19-16-6-4-5-15(18)12-16/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyKKWCPXGYWQRTRZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.79
Rot. Bonds6

About 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline

3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline (PubChem CID 43094821) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
PubChem CID43094821
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-11-20-17-9-7-14(8-10-17)13(2)19-16-6-4-5-15(18)12-16/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyKKWCPXGYWQRTRZ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
4-bromo-3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 65437836
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63676849
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline (CID 43094821) is 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline is CCCOc1ccc(C(C)Nc2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The InChIKey is KKWCPXGYWQRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-20-17-9-7-14(8-10-17)13(2)19-16-6-4-5-15(18)12-16/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43094821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).