2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol

C17H29NO2 — CID 82316067

IUPAC2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)NCCCOCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-7-15-8-10-16(11-9-15)17(19)14(3)18-12-6-13-20-5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyRCFMWTFETLMRGA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.08
Rot. Bonds10

About 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol

2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol (PubChem CID 82316067) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
PubChem CID82316067
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)C(C)NCCCOCC)cc1
InChIInChI=1S/C17H29NO2/c1-4-7-15-8-10-16(11-9-15)17(19)14(3)18-12-6-13-20-5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyRCFMWTFETLMRGA-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
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

2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82312671
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82313612
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
CID 116502564
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
2-[[3-(4-dodecylphenyl)-3-hydroxypropyl]amino]-1-phenylpropan-1-ol
CID 110177895

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol (CID 82316067) is 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol is CCCc1ccc(C(O)C(C)NCCCOCC)cc1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol?
The InChIKey is RCFMWTFETLMRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-7-15-8-10-16(11-9-15)17(19)14(3)18-12-6-13-20-5-2/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol?
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol has a molecular weight of 279.42 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 2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol is sourced from PubChem (CID 82316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).