4-(3,5-dimethylphenyl)oxan-4-amine

C13H19NO — CID 23090035

IUPAC4-(3,5-dimethylphenyl)oxan-4-amine
SMILESCc1cc(C)cc(C2(N)CCOCC2)c1
InChIInChI=1S/C13H19NO/c1-10-7-11(2)9-12(8-10)13(14)3-5-15-6-4-13/h7-9H,3-6,14H2,1-2H3
InChIKeySTGURBGONBHNDI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.27
Rot. Bonds1

About 4-(3,5-dimethylphenyl)oxan-4-amine

4-(3,5-dimethylphenyl)oxan-4-amine (PubChem CID 23090035) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)oxan-4-amine
PubChem CID23090035
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3,5-dimethylphenyl)oxan-4-amine
SMILESCc1cc(C)cc(C2(N)CCOCC2)c1
InChIInChI=1S/C13H19NO/c1-10-7-11(2)9-12(8-10)13(14)3-5-15-6-4-13/h7-9H,3-6,14H2,1-2H3
InChIKeySTGURBGONBHNDI-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4,6-trimethylphenyl)oxan-4-amine
CID 82285946
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
4-(5-methylthiophen-3-yl)oxan-4-amine
CID 65099462
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
4-(5-methylthiophen-3-yl)oxepan-4-amine
CID 65099985
1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 55186767
3-(3,5-dimethylphenyl)piperidin-3-amine
CID 165356596
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
3-(5-methyl-3-pyridinyl)oxan-3-amine
CID 115373854

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)oxan-4-amine?
The IUPAC name of 4-(3,5-dimethylphenyl)oxan-4-amine (CID 23090035) is 4-(3,5-dimethylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)oxan-4-amine?
The canonical SMILES for 4-(3,5-dimethylphenyl)oxan-4-amine is Cc1cc(C)cc(C2(N)CCOCC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)oxan-4-amine?
The InChIKey is STGURBGONBHNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-11(2)9-12(8-10)13(14)3-5-15-6-4-13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)oxan-4-amine?
4-(3,5-dimethylphenyl)oxan-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)oxan-4-amine is sourced from PubChem (CID 23090035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).