2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine

C16H18FNO — CID 105350731

IUPAC2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(COc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(10-18)14-7-5-13(6-8-14)11-19-16-4-2-3-15(17)9-16/h2-9,12H,10-11,18H2,1H3
InChIKeyWJUADEXNMUDJHG-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine

2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine (PubChem CID 105350731) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
PubChem CID105350731
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(COc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(10-18)14-7-5-13(6-8-14)11-19-16-4-2-3-15(17)9-16/h2-9,12H,10-11,18H2,1H3
InChIKeyWJUADEXNMUDJHG-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350409
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
2-[4-(phenylmethoxymethyl)phenyl]propan-1-amine
CID 105349042
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine (CID 105350731) is 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine is CC(CN)c1ccc(COc2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine?
The InChIKey is WJUADEXNMUDJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(10-18)14-7-5-13(6-8-14)11-19-16-4-2-3-15(17)9-16/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine?
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105350731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).