3-(3-methylphenyl)oxan-4-amine

C12H17NO — CID 84772069

IUPAC3-(3-methylphenyl)oxan-4-amine
SMILESCc1cccc(C2COCCC2N)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)11-8-14-6-5-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyMWCGYXBBKHPRAV-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.83
Rot. Bonds1

About 3-(3-methylphenyl)oxan-4-amine

3-(3-methylphenyl)oxan-4-amine (PubChem CID 84772069) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)oxan-4-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)oxan-4-amine
PubChem CID84772069
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(3-methylphenyl)oxan-4-amine
SMILESCc1cccc(C2COCCC2N)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)11-8-14-6-5-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyMWCGYXBBKHPRAV-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)oxan-4-amine?
The IUPAC name of 3-(3-methylphenyl)oxan-4-amine (CID 84772069) is 3-(3-methylphenyl)oxan-4-amine.
What is the SMILES notation for 3-(3-methylphenyl)oxan-4-amine?
The canonical SMILES for 3-(3-methylphenyl)oxan-4-amine is Cc1cccc(C2COCCC2N)c1.
What is the InChIKey of 3-(3-methylphenyl)oxan-4-amine?
The InChIKey is MWCGYXBBKHPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)11-8-14-6-5-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3.
What are the key properties of 3-(3-methylphenyl)oxan-4-amine?
3-(3-methylphenyl)oxan-4-amine has a molecular weight of 191.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)oxan-4-amine is sourced from PubChem (CID 84772069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).