1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine

C14H19NO2 — CID 55030445

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CCC=CO2)cc1
InChIInChI=1S/C14H19NO2/c1-16-13-7-5-12(6-8-13)10-15-11-14-4-2-3-9-17-14/h3,5-9,14-15H,2,4,10-11H2,1H3
InChIKeyYAOQYZMCMFSAEL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine (PubChem CID 55030445) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
PubChem CID55030445
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CCC=CO2)cc1
InChIInChI=1S/C14H19NO2/c1-16-13-7-5-12(6-8-13)10-15-11-14-4-2-3-9-17-14/h3,5-9,14-15H,2,4,10-11H2,1H3
InChIKeyYAOQYZMCMFSAEL-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine (CID 55030445) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine is COc1ccc(CNCC2CCC=CO2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine?
The InChIKey is YAOQYZMCMFSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-7-5-12(6-8-13)10-15-11-14-4-2-3-9-17-14/h3,5-9,14-15H,2,4,10-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 55030445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).