1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine

C16H25NO — CID 65331960

IUPAC1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)C2CCCOC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-7-5-13(6-8-14)10-16(17)15-4-3-9-18-11-15/h5-8,12,15-16H,3-4,9-11,17H2,1-2H3
InChIKeyRPDPYABIMJJLEU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine

1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 65331960) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID65331960
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)C2CCCOC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-7-5-13(6-8-14)10-16(17)15-4-3-9-18-11-15/h5-8,12,15-16H,3-4,9-11,17H2,1-2H3
InChIKeyRPDPYABIMJJLEU-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65332288
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
3-[1-bromo-2-(4-chlorophenyl)ethyl]oxane
CID 63015468

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 65331960) is 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)C2CCCOC2)cc1.
What is the InChIKey of 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is RPDPYABIMJJLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-7-5-13(6-8-14)10-16(17)15-4-3-9-18-11-15/h5-8,12,15-16H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 65331960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).