2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol

C18H29NO2 — CID 64804772

IUPAC2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1ccccc1C(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(12-20,15-9-10-15)13-21-17-8-6-5-7-16(17)14(2)3/h5-8,14-15,19-20H,4,9-13H2,1-3H3
InChIKeyKQLWOEPMIUHNEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.33
Rot. Bonds9

About 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol (PubChem CID 64804772) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
PubChem CID64804772
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1ccccc1C(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(12-20,15-9-10-15)13-21-17-8-6-5-7-16(17)14(2)3/h5-8,14-15,19-20H,4,9-13H2,1-3H3
InChIKeyKQLWOEPMIUHNEZ-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
CID 62459432
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
1-cyclopropyl-N-methyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 63915324
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol (CID 64804772) is 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol is CCCNC(CO)(COc1ccccc1C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol?
The InChIKey is KQLWOEPMIUHNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-18(12-20,15-9-10-15)13-21-17-8-6-5-7-16(17)14(2)3/h5-8,14-15,19-20H,4,9-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64804772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).