2-(3-phenyloxan-3-yl)ethanamine

C13H19NO — CID 83819944

IUPAC2-(3-phenyloxan-3-yl)ethanamine
SMILESNCCC1(c2ccccc2)CCCOC1
InChIInChI=1S/C13H19NO/c14-9-8-13(7-4-10-15-11-13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeySUBSBQNOFNHZPK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.08
Rot. Bonds3

About 2-(3-phenyloxan-3-yl)ethanamine

2-(3-phenyloxan-3-yl)ethanamine (PubChem CID 83819944) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-phenyloxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyloxan-3-yl)ethanamine
PubChem CID83819944
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-phenyloxan-3-yl)ethanamine
SMILESNCCC1(c2ccccc2)CCCOC1
InChIInChI=1S/C13H19NO/c14-9-8-13(7-4-10-15-11-13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeySUBSBQNOFNHZPK-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-phenyloxan-3-yl)methanol
CID 168870348
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine
CID 83822644
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
2-(2-phenyloxolan-2-yl)ethanamine
CID 155858303
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
CID 129395694
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyloxan-3-yl)ethanamine?
The IUPAC name of 2-(3-phenyloxan-3-yl)ethanamine (CID 83819944) is 2-(3-phenyloxan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-phenyloxan-3-yl)ethanamine?
The canonical SMILES for 2-(3-phenyloxan-3-yl)ethanamine is NCCC1(c2ccccc2)CCCOC1.
What is the InChIKey of 2-(3-phenyloxan-3-yl)ethanamine?
The InChIKey is SUBSBQNOFNHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-9-8-13(7-4-10-15-11-13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2.
What are the key properties of 2-(3-phenyloxan-3-yl)ethanamine?
2-(3-phenyloxan-3-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyloxan-3-yl)ethanamine is sourced from PubChem (CID 83819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).