6-(oxolan-2-yl)-3-phenylhexan-3-amine

C16H25NO — CID 65166888

IUPAC6-(oxolan-2-yl)-3-phenylhexan-3-amine
SMILESCCC(N)(CCCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-16(17,14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-5,8-9,15H,2,6-7,10-13,17H2,1H3
InChIKeyKDUATKVPDRGEEE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds6

About 6-(oxolan-2-yl)-3-phenylhexan-3-amine

6-(oxolan-2-yl)-3-phenylhexan-3-amine (PubChem CID 65166888) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-3-phenylhexan-3-amine.

Molecular Properties

Compound Name6-(oxolan-2-yl)-3-phenylhexan-3-amine
PubChem CID65166888
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-(oxolan-2-yl)-3-phenylhexan-3-amine
SMILESCCC(N)(CCCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-16(17,14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-5,8-9,15H,2,6-7,10-13,17H2,1H3
InChIKeyKDUATKVPDRGEEE-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 116696380
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-3-phenylhexan-3-amine?
The IUPAC name of 6-(oxolan-2-yl)-3-phenylhexan-3-amine (CID 65166888) is 6-(oxolan-2-yl)-3-phenylhexan-3-amine.
What is the SMILES notation for 6-(oxolan-2-yl)-3-phenylhexan-3-amine?
The canonical SMILES for 6-(oxolan-2-yl)-3-phenylhexan-3-amine is CCC(N)(CCCC1CCCO1)c1ccccc1.
What is the InChIKey of 6-(oxolan-2-yl)-3-phenylhexan-3-amine?
The InChIKey is KDUATKVPDRGEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-16(17,14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-5,8-9,15H,2,6-7,10-13,17H2,1H3.
What are the key properties of 6-(oxolan-2-yl)-3-phenylhexan-3-amine?
6-(oxolan-2-yl)-3-phenylhexan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-3-phenylhexan-3-amine is sourced from PubChem (CID 65166888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).