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

C17H20FNO — CID 63454865

IUPAC3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2cccc(F)c2C)c1
InChIInChI=1S/C17H20FNO/c1-3-10-20-15-7-4-6-14(11-15)12-19-17-9-5-8-16(18)13(17)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyRYSDJGNKJACYKA-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.54
Rot. Bonds6

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

3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline (PubChem CID 63454865) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
PubChem CID63454865
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2cccc(F)c2C)c1
InChIInChI=1S/C17H20FNO/c1-3-10-20-15-7-4-6-14(11-15)12-19-17-9-5-8-16(18)13(17)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyRYSDJGNKJACYKA-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

2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
3-methylsulfanyl-N-[(3-propoxyphenyl)methyl]aniline
CID 60961433
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline (CID 63454865) is 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline is CCCOc1cccc(CNc2cccc(F)c2C)c1.
What is the InChIKey of 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline?
The InChIKey is RYSDJGNKJACYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-10-20-15-7-4-6-14(11-15)12-19-17-9-5-8-16(18)13(17)2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline?
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]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 3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 63454865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).