[4-(2-methylphenyl)oxan-4-yl]methanamine

C13H19NO — CID 28949360

IUPAC[4-(2-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccccc1C1(CN)CCOCC1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-12(11)13(10-14)6-8-15-9-7-13/h2-5H,6-10,14H2,1H3
InChIKeyUCUIYAITKWWGFN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.00
Rot. Bonds2

About [4-(2-methylphenyl)oxan-4-yl]methanamine

[4-(2-methylphenyl)oxan-4-yl]methanamine (PubChem CID 28949360) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-(2-methylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylphenyl)oxan-4-yl]methanamine
PubChem CID28949360
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[4-(2-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccccc1C1(CN)CCOCC1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-12(11)13(10-14)6-8-15-9-7-13/h2-5H,6-10,14H2,1H3
InChIKeyUCUIYAITKWWGFN-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-methylphenyl)oxan-4-yl]methanamine (CID 28949360) is [4-(2-methylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-methylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-methylphenyl)oxan-4-yl]methanamine is Cc1ccccc1C1(CN)CCOCC1.
What is the InChIKey of [4-(2-methylphenyl)oxan-4-yl]methanamine?
The InChIKey is UCUIYAITKWWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-3-5-12(11)13(10-14)6-8-15-9-7-13/h2-5H,6-10,14H2,1H3.
What are the key properties of [4-(2-methylphenyl)oxan-4-yl]methanamine?
[4-(2-methylphenyl)oxan-4-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 28949360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).