4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine

C15H23NO2 — CID 82297013

IUPAC4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
SMILESCOc1ccc(C(C)C)cc1C1(N)CCOCC1
InChIInChI=1S/C15H23NO2/c1-11(2)12-4-5-14(17-3)13(10-12)15(16)6-8-18-9-7-15/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyVREBIGOQWXVCKX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine

4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine (PubChem CID 82297013) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
PubChem CID82297013
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
SMILESCOc1ccc(C(C)C)cc1C1(N)CCOCC1
InChIInChI=1S/C15H23NO2/c1-11(2)12-4-5-14(17-3)13(10-12)15(16)6-8-18-9-7-15/h4-5,10-11H,6-9,16H2,1-3H3
InChIKeyVREBIGOQWXVCKX-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutan-1-amine
CID 117371916
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82122630
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine?
The IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine (CID 82297013) is 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine?
The canonical SMILES for 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine is COc1ccc(C(C)C)cc1C1(N)CCOCC1.
What is the InChIKey of 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine?
The InChIKey is VREBIGOQWXVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)12-4-5-14(17-3)13(10-12)15(16)6-8-18-9-7-15/h4-5,10-11H,6-9,16H2,1-3H3.
What are the key properties of 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine?
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine is sourced from PubChem (CID 82297013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).