2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol

C17H29NO2 — CID 64802794

IUPAC2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
SMILESCCNC(CO)(COC(C)CC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-5-18-17(12-19,16-9-7-6-8-10-16)13-20-15(4)11-14(2)3/h6-10,14-15,18-19H,5,11-13H2,1-4H3
InChIKeyXBHOAEWSEXCYEI-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.93
Rot. Bonds9

About 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol

2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol (PubChem CID 64802794) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
PubChem CID64802794
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
SMILESCCNC(CO)(COC(C)CC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-5-18-17(12-19,16-9-7-6-8-10-16)13-20-15(4)11-14(2)3/h6-10,14-15,18-19H,5,11-13H2,1-4H3
InChIKeyXBHOAEWSEXCYEI-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-3-[2-methylpropyl(propan-2-yl)amino]-2-phenylpropan-1-ol
CID 64827794
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol (CID 64802794) is 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol is CCNC(CO)(COC(C)CC(C)C)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol?
The InChIKey is XBHOAEWSEXCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-18-17(12-19,16-9-7-6-8-10-16)13-20-15(4)11-14(2)3/h6-10,14-15,18-19H,5,11-13H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol?
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 64802794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).