1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol

C17H25NO2 — CID 114520395

IUPAC1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2ccc(OC3CC3)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-18-14-9-11-17(19,12-10-14)13-3-5-15(6-4-13)20-16-7-8-16/h3-6,14,16,18-19H,2,7-12H2,1H3
InChIKeyYLQVXRHTULMYEM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol

1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol (PubChem CID 114520395) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
PubChem CID114520395
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2ccc(OC3CC3)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-18-14-9-11-17(19,12-10-14)13-3-5-15(6-4-13)20-16-7-8-16/h3-6,14,16,18-19H,2,7-12H2,1H3
InChIKeyYLQVXRHTULMYEM-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol (CID 114520395) is 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(c2ccc(OC3CC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is YLQVXRHTULMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18-14-9-11-17(19,12-10-14)13-3-5-15(6-4-13)20-16-7-8-16/h3-6,14,16,18-19H,2,7-12H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol?
1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 114520395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).