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

C16H18FNO — CID 39360349

IUPAC3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-2-9-19-16-8-3-5-13(10-16)12-18-15-7-4-6-14(17)11-15/h3-8,10-11,18H,2,9,12H2,1H3
InChIKeyDTXAPDAYJGPLDX-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.23
Rot. Bonds6

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

3-fluoro-N-[(3-propoxyphenyl)methyl]aniline (PubChem CID 39360349) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
PubChem CID39360349
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-2-9-19-16-8-3-5-13(10-16)12-18-15-7-4-6-14(17)11-15/h3-8,10-11,18H,2,9,12H2,1H3
InChIKeyDTXAPDAYJGPLDX-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-methylsulfanyl-N-[(3-propoxyphenyl)methyl]aniline
CID 60961433
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
CID 63454865
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline (CID 39360349) is 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline is CCCOc1cccc(CNc2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline?
The InChIKey is DTXAPDAYJGPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-9-19-16-8-3-5-13(10-16)12-18-15-7-4-6-14(17)11-15/h3-8,10-11,18H,2,9,12H2,1H3.
What are the key properties of 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline?
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39360349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).