3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine

C19H29NO — CID 65164463

IUPAC3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
SMILESNC(CCC1CCCO1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c20-18(12-11-17-10-7-15-21-17)19(13-5-2-6-14-19)16-8-3-1-4-9-16/h1,3-4,8-9,17-18H,2,5-7,10-15,20H2
InChIKeyQBKAKHYQLPUQIS-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.18
Rot. Bonds5

About 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine

3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine (PubChem CID 65164463) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
PubChem CID65164463
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
SMILESNC(CCC1CCCO1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c20-18(12-11-17-10-7-15-21-17)19(13-5-2-6-14-19)16-8-3-1-4-9-16/h1,3-4,8-9,17-18H,2,5-7,10-15,20H2
InChIKeyQBKAKHYQLPUQIS-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349
N-[2-(oxolan-2-ylmethoxy)ethyl]-1-(1-phenylcyclopentyl)ethanamine
CID 119034256
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine (CID 65164463) is 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine is NC(CCC1CCCO1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine?
The InChIKey is QBKAKHYQLPUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c20-18(12-11-17-10-7-15-21-17)19(13-5-2-6-14-19)16-8-3-1-4-9-16/h1,3-4,8-9,17-18H,2,5-7,10-15,20H2.
What are the key properties of 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine?
3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine is sourced from PubChem (CID 65164463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).