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

C16H18FNO — CID 39360343

IUPAC2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h3-10,18H,2,11-12H2,1H3
InChIKeyUSDNKJKJWIMDAP-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.23
Rot. Bonds6

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

2-fluoro-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 39360343) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID39360343
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h3-10,18H,2,11-12H2,1H3
InChIKeyUSDNKJKJWIMDAP-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

2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538614
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
N-[(5-bromo-2-fluorophenyl)methyl]-2-propoxyaniline
CID 43682226
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
CID 83961565
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline (CID 39360343) is 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is USDNKJKJWIMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline?
2-fluoro-N-[(2-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 2-fluoro-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).