2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol

C17H29NO3 — CID 116695489

IUPAC2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCCNC(CO)(CCOCCOC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-4-18-17(14-19,16-8-6-5-7-9-16)10-11-20-12-13-21-15(2)3/h5-9,15,18-19H,4,10-14H2,1-3H3
InChIKeyUTHCUYOQRRSOER-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.32
Rot. Bonds11

About 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol

2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol (PubChem CID 116695489) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
PubChem CID116695489
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCCNC(CO)(CCOCCOC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-4-18-17(14-19,16-8-6-5-7-9-16)10-11-20-12-13-21-15(2)3/h5-9,15,18-19H,4,10-14H2,1-3H3
InChIKeyUTHCUYOQRRSOER-UHFFFAOYSA-N
XLogP2.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-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-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol (CID 116695489) is 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol is CCNC(CO)(CCOCCOC(C)C)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The InChIKey is UTHCUYOQRRSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-18-17(14-19,16-8-6-5-7-9-16)10-11-20-12-13-21-15(2)3/h5-9,15,18-19H,4,10-14H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol is sourced from PubChem (CID 116695489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).