2-methyl-N-(2-methylphenyl)oxolan-3-amine

C12H17NO — CID 75525382

IUPAC2-methyl-N-(2-methylphenyl)oxolan-3-amine
SMILESCc1ccccc1NC1CCOC1C
InChIInChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyQGULCSZVVGKLLL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.58
Rot. Bonds2

About 2-methyl-N-(2-methylphenyl)oxolan-3-amine

2-methyl-N-(2-methylphenyl)oxolan-3-amine (PubChem CID 75525382) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)oxolan-3-amine
PubChem CID75525382
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-N-(2-methylphenyl)oxolan-3-amine
SMILESCc1ccccc1NC1CCOC1C
InChIInChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyQGULCSZVVGKLLL-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylphenyl)oxolan-3-amine (CID 75525382) is 2-methyl-N-(2-methylphenyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)oxolan-3-amine is Cc1ccccc1NC1CCOC1C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)oxolan-3-amine?
The InChIKey is QGULCSZVVGKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)13-12-7-8-14-10(12)2/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylphenyl)oxolan-3-amine?
2-methyl-N-(2-methylphenyl)oxolan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 75525382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).