2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine

C17H18FNO — CID 118733582

IUPAC2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1cccc(COc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-13(11-19-2)15-5-3-4-14(10-15)12-20-17-8-6-16(18)7-9-17/h3-10,19H,1,11-12H2,2H3
InChIKeyJYZKSVDORXHESB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine

2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine (PubChem CID 118733582) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine
PubChem CID118733582
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1cccc(COc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-13(11-19-2)15-5-3-4-14(10-15)12-20-17-8-6-16(18)7-9-17/h3-10,19H,1,11-12H2,2H3
InChIKeyJYZKSVDORXHESB-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine (CID 118733582) is 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine is C=C(CNC)c1cccc(COc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is JYZKSVDORXHESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(11-19-2)15-5-3-4-14(10-15)12-20-17-8-6-16(18)7-9-17/h3-10,19H,1,11-12H2,2H3.
What are the key properties of 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine?
2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenoxy)methyl]phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 118733582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).