3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine

C13H17NO2 — CID 102647076

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)C1=CCCCO1
InChIInChI=1S/C13H17NO2/c1-15-11-7-3-2-6-10(11)13(14)12-8-4-5-9-16-12/h2-3,6-8,13H,4-5,9,14H2,1H3
InChIKeyOJJQSQQUUCSVMC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.39
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine (PubChem CID 102647076) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine
PubChem CID102647076
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)C1=CCCCO1
InChIInChI=1S/C13H17NO2/c1-15-11-7-3-2-6-10(11)13(14)12-8-4-5-9-16-12/h2-3,6-8,13H,4-5,9,14H2,1H3
InChIKeyOJJQSQQUUCSVMC-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
[2,3-dihydrofuran-5-yl-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 102654403
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149
1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 102649751
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrazin-2-yl)methanamine
CID 102649606
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
2,3-dihydrofuran-5-yl-(4-methoxynaphthalen-1-yl)methanol
CID 102650695

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine (CID 102647076) is 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine?
The InChIKey is OJJQSQQUUCSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-11-7-3-2-6-10(11)13(14)12-8-4-5-9-16-12/h2-3,6-8,13H,4-5,9,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine has a molecular weight of 219.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 102647076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).