2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol

C16H27NO2 — CID 60901286

IUPAC2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCOCCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyRDCBXQWSGPNKIL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds9

About 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60901286) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60901286
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCOCCCNCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyRDCBXQWSGPNKIL-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol 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-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312624
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
1-(3-ethoxypropylamino)-4-methylpentan-2-ol
CID 107152558

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 60901286) is 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol is CCOCCCNCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is RDCBXQWSGPNKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-19-11-5-10-17-12-16(18)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60901286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).