[4-(4-methoxyphenyl)oxan-3-yl]methanamine

C13H19NO2 — CID 84788082

IUPAC[4-(4-methoxyphenyl)oxan-3-yl]methanamine
SMILESCOc1ccc(C2CCOCC2CN)cc1
InChIInChI=1S/C13H19NO2/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3
InChIKeyUKTGELPOWMASPP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds3

About [4-(4-methoxyphenyl)oxan-3-yl]methanamine

[4-(4-methoxyphenyl)oxan-3-yl]methanamine (PubChem CID 84788082) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)oxan-3-yl]methanamine
PubChem CID84788082
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(4-methoxyphenyl)oxan-3-yl]methanamine
SMILESCOc1ccc(C2CCOCC2CN)cc1
InChIInChI=1S/C13H19NO2/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3
InChIKeyUKTGELPOWMASPP-UHFFFAOYSA-N
XLogP1.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenyloxan-3-yl)methanamine
CID 84772062
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
CID 71648283
[4-(2-methylphenyl)oxan-3-yl]methanamine
CID 84778691
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
4-bromo-3-[2-(4-methoxyphenoxy)ethyl]oxane
CID 106471650
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 91647555
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
2-(4-methoxyphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270364
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)oxan-3-yl]methanamine?
The IUPAC name of [4-(4-methoxyphenyl)oxan-3-yl]methanamine (CID 84788082) is [4-(4-methoxyphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [4-(4-methoxyphenyl)oxan-3-yl]methanamine?
The canonical SMILES for [4-(4-methoxyphenyl)oxan-3-yl]methanamine is COc1ccc(C2CCOCC2CN)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)oxan-3-yl]methanamine?
The InChIKey is UKTGELPOWMASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)oxan-3-yl]methanamine?
[4-(4-methoxyphenyl)oxan-3-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 84788082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).