2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol

C16H27NO3 — CID 82313794

IUPAC2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCCOCCCNC(C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(3)16(18)14-7-8-15(19-4)12(2)11-14/h7-8,11,13,16-18H,5-6,9-10H2,1-4H3
InChIKeySOMNYBKBCOJYLD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.44
Rot. Bonds9

About 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol

2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 82313794) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
PubChem CID82313794
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCCOCCCNC(C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(3)16(18)14-7-8-15(19-4)12(2)11-14/h7-8,11,13,16-18H,5-6,9-10H2,1-4H3
InChIKeySOMNYBKBCOJYLD-UHFFFAOYSA-N
XLogP2.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
CID 82313839
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
1-(3,4-dimethoxyphenyl)-2-(2-fluoroethylamino)propan-1-ol
CID 155431279
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184275
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol (CID 82313794) is 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol is CCOCCCNC(C)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is SOMNYBKBCOJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-20-10-6-9-17-13(3)16(18)14-7-8-15(19-4)12(2)11-14/h7-8,11,13,16-18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82313794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).