2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine

C17H20FNO — CID 105350603

IUPAC2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-13(11-19-2)15-5-3-14(4-6-15)12-20-17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyJYQDSFSVYKYEDQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.73
Rot. Bonds6

About 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine

2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105350603) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105350603
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-13(11-19-2)15-5-3-14(4-6-15)12-20-17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyJYQDSFSVYKYEDQ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 107661159
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105351313
3-bromo-1-[4-[(4-fluorophenyl)methoxy]phenyl]propane-1,2-diol
CID 171861171
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine (CID 105350603) is 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(COc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is JYQDSFSVYKYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(11-19-2)15-5-3-14(4-6-15)12-20-17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105350603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).