2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline

C17H20FNO2 — CID 39392801

IUPAC2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
SMILESCCCOc1c(CNc2ccccc2F)cccc1OC
InChIInChI=1S/C17H20FNO2/c1-3-11-21-17-13(7-6-10-16(17)20-2)12-19-15-9-5-4-8-14(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVWWHSKWGEWTWEK-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.24
Rot. Bonds7

About 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline

2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline (PubChem CID 39392801) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
PubChem CID39392801
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
SMILESCCCOc1c(CNc2ccccc2F)cccc1OC
InChIInChI=1S/C17H20FNO2/c1-3-11-21-17-13(7-6-10-16(17)20-2)12-19-15-9-5-4-8-14(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVWWHSKWGEWTWEK-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
CID 39425332
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
CID 83141185
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline (CID 39392801) is 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline is CCCOc1c(CNc2ccccc2F)cccc1OC.
What is the InChIKey of 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline?
The InChIKey is VWWHSKWGEWTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-11-21-17-13(7-6-10-16(17)20-2)12-19-15-9-5-4-8-14(15)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline?
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline has a molecular weight of 289.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).