3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol

C18H29NO2 — CID 106206861

IUPAC3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COCCC1CCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-2-12-19-18(14-20,17-9-4-3-5-10-17)15-21-13-11-16-7-6-8-16/h3-5,9-10,16,19-20H,2,6-8,11-15H2,1H3
InChIKeyYVZXBPZHNJQMGZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds10

About 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol

3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 106206861) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID106206861
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COCCC1CCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-2-12-19-18(14-20,17-9-4-3-5-10-17)15-21-13-11-16-7-6-8-16/h3-5,9-10,16,19-20H,2,6-8,11-15H2,1H3
InChIKeyYVZXBPZHNJQMGZ-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol (CID 106206861) is 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol is CCCNC(CO)(COCCC1CCC1)c1ccccc1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is YVZXBPZHNJQMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-12-19-18(14-20,17-9-4-3-5-10-17)15-21-13-11-16-7-6-8-16/h3-5,9-10,16,19-20H,2,6-8,11-15H2,1H3.
What are the key properties of 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol?
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 106206861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).