1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

C17H20FNO — CID 115494579

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-13(19-2)10-14-6-8-17(9-7-14)20-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyRIMCDVZELRINTA-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.56
Rot. Bonds6

About 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 115494579) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID115494579
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-13(19-2)10-14-6-8-17(9-7-14)20-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyRIMCDVZELRINTA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
CID 173136655

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (CID 115494579) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is RIMCDVZELRINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(19-2)10-14-6-8-17(9-7-14)20-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 115494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).