1-(oxolan-2-yl)-4-phenylhexan-3-amine

C16H25NO — CID 104993677

IUPAC1-(oxolan-2-yl)-4-phenylhexan-3-amine
SMILESCCC(c1ccccc1)C(N)CCC1CCCO1
InChIInChI=1S/C16H25NO/c1-2-15(13-7-4-3-5-8-13)16(17)11-10-14-9-6-12-18-14/h3-5,7-8,14-16H,2,6,9-12,17H2,1H3
InChIKeyYAULXEFATTWCHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds6

About 1-(oxolan-2-yl)-4-phenylhexan-3-amine

1-(oxolan-2-yl)-4-phenylhexan-3-amine (PubChem CID 104993677) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-4-phenylhexan-3-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-4-phenylhexan-3-amine
PubChem CID104993677
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(oxolan-2-yl)-4-phenylhexan-3-amine
SMILESCCC(c1ccccc1)C(N)CCC1CCCO1
InChIInChI=1S/C16H25NO/c1-2-15(13-7-4-3-5-8-13)16(17)11-10-14-9-6-12-18-14/h3-5,7-8,14-16H,2,6,9-12,17H2,1H3
InChIKeyYAULXEFATTWCHR-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
CID 116773427
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
2-[3-bromo-3-(4-butan-2-ylphenyl)propyl]oxolane
CID 65158164
3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
CID 65164463
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-4-phenylhexan-3-amine?
The IUPAC name of 1-(oxolan-2-yl)-4-phenylhexan-3-amine (CID 104993677) is 1-(oxolan-2-yl)-4-phenylhexan-3-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-4-phenylhexan-3-amine?
The canonical SMILES for 1-(oxolan-2-yl)-4-phenylhexan-3-amine is CCC(c1ccccc1)C(N)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-4-phenylhexan-3-amine?
The InChIKey is YAULXEFATTWCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-15(13-7-4-3-5-8-13)16(17)11-10-14-9-6-12-18-14/h3-5,7-8,14-16H,2,6,9-12,17H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-4-phenylhexan-3-amine?
1-(oxolan-2-yl)-4-phenylhexan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-4-phenylhexan-3-amine is sourced from PubChem (CID 104993677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).