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

C17H23NO2 — CID 102647412

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
SMILESNC(C1=CCCCO1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO2/c18-16(15-8-4-5-11-20-15)17(9-12-19-13-10-17)14-6-2-1-3-7-14/h1-3,6-8,16H,4-5,9-13,18H2
InChIKeyPZMSOHLPEJLXJS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine (PubChem CID 102647412) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
PubChem CID102647412
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
SMILESNC(C1=CCCCO1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO2/c18-16(15-8-4-5-11-20-15)17(9-12-19-13-10-17)14-6-2-1-3-7-14/h1-3,6-8,16H,4-5,9-13,18H2
InChIKeyPZMSOHLPEJLXJS-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
[cyclohexen-1-yl-(4-phenyloxan-4-yl)methyl]hydrazine
CID 106648866
2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
CID 62881918
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine (CID 102647412) is 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine is NC(C1=CCCCO1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine?
The InChIKey is PZMSOHLPEJLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-16(15-8-4-5-11-20-15)17(9-12-19-13-10-17)14-6-2-1-3-7-14/h1-3,6-8,16H,4-5,9-13,18H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.76, 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-(4-phenyloxan-4-yl)methanamine is sourced from PubChem (CID 102647412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).