2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine

C18H27NO2 — CID 43184028

IUPAC2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1OCC1CCCCO1
InChIInChI=1S/C18H27NO2/c19-17-10-9-15(14-6-2-1-3-7-14)12-18(17)21-13-16-8-4-5-11-20-16/h1-3,6-7,15-18H,4-5,8-13,19H2
InChIKeyHEMNDXKZHLQNRW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds4

About 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine

2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine (PubChem CID 43184028) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
PubChem CID43184028
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1OCC1CCCCO1
InChIInChI=1S/C18H27NO2/c19-17-10-9-15(14-6-2-1-3-7-14)12-18(17)21-13-16-8-4-5-11-20-16/h1-3,6-7,15-18H,4-5,8-13,19H2
InChIKeyHEMNDXKZHLQNRW-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine (CID 43184028) is 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine is NC1CCC(c2ccccc2)CC1OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine?
The InChIKey is HEMNDXKZHLQNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-17-10-9-15(14-6-2-1-3-7-14)12-18(17)21-13-16-8-4-5-11-20-16/h1-3,6-7,15-18H,4-5,8-13,19H2.
What are the key properties of 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine?
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 43184028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).