N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine

C19H23FN2O2 — CID 46996995

IUPACN-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1
InChIInChI=1S/C19H23FN2O2/c1-23-19-9-6-16(11-21-19)13-22(14-18-3-2-10-24-18)12-15-4-7-17(20)8-5-15/h4-9,11,18H,2-3,10,12-14H2,1H3
InChIKeyNRKIZKKWZRICOI-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.41
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46996995) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46996995
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1
InChIInChI=1S/C19H23FN2O2/c1-23-19-9-6-16(11-21-19)13-22(14-18-3-2-10-24-18)12-15-4-7-17(20)8-5-15/h4-9,11,18H,2-3,10,12-14H2,1H3
InChIKeyNRKIZKKWZRICOI-UHFFFAOYSA-N
XLogP3.41
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine (CID 46996995) is N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine is COc1ccc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is NRKIZKKWZRICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-23-19-9-6-16(11-21-19)13-22(14-18-3-2-10-24-18)12-15-4-7-17(20)8-5-15/h4-9,11,18H,2-3,10,12-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 330.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46996995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).