N-(4-methylphenyl)oxan-4-amine

C12H17NO — CID 28887393

IUPACN-(4-methylphenyl)oxan-4-amine
SMILESCc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKeyJXFHFTHMAOWWGR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.59
Rot. Bonds2

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

N-(4-methylphenyl)oxan-4-amine (PubChem CID 28887393) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(4-methylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)oxan-4-amine
PubChem CID28887393
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(4-methylphenyl)oxan-4-amine
SMILESCc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKeyJXFHFTHMAOWWGR-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)oxan-4-amine?
The IUPAC name of N-(4-methylphenyl)oxan-4-amine (CID 28887393) is N-(4-methylphenyl)oxan-4-amine.
What is the SMILES notation for N-(4-methylphenyl)oxan-4-amine?
The canonical SMILES for N-(4-methylphenyl)oxan-4-amine is Cc1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)oxan-4-amine?
The InChIKey is JXFHFTHMAOWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of N-(4-methylphenyl)oxan-4-amine?
N-(4-methylphenyl)oxan-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)oxan-4-amine is sourced from PubChem (CID 28887393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).