(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine

C22H23FN2O — CID 97262096

IUPAC(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN2O/c1-17(22-8-3-4-13-24-22)25(2)15-19-6-5-7-21(14-19)26-16-18-9-11-20(23)12-10-18/h3-14,17H,15-16H2,1-2H3/t17-/m0/s1
InChIKeyLPYRLUWIVBYJFA-KRWDZBQOSA-N
MW350.44 g/mol
LogP4.99
Rot. Bonds7

About (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine

(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 97262096) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
PubChem CID97262096
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN2O/c1-17(22-8-3-4-13-24-22)25(2)15-19-6-5-7-21(14-19)26-16-18-9-11-20(23)12-10-18/h3-14,17H,15-16H2,1-2H3/t17-/m0/s1
InChIKeyLPYRLUWIVBYJFA-KRWDZBQOSA-N
XLogP4.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine (CID 97262096) is (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine is C[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is LPYRLUWIVBYJFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-17(22-8-3-4-13-24-22)25(2)15-19-6-5-7-21(14-19)26-16-18-9-11-20(23)12-10-18/h3-14,17H,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine?
(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 350.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 97262096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).