2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol

C15H25NO3 — CID 82314072

IUPAC2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-3-10-19-14-7-5-13(6-8-14)15(17)12-16-9-4-11-18-2/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeyPRECYEQIWXKESO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds10

About 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol

2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol (PubChem CID 82314072) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
PubChem CID82314072
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-3-10-19-14-7-5-13(6-8-14)15(17)12-16-9-4-11-18-2/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeyPRECYEQIWXKESO-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
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

2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol (CID 82314072) is 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CNCCCOC)cc1.
What is the InChIKey of 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol?
The InChIKey is PRECYEQIWXKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-10-19-14-7-5-13(6-8-14)15(17)12-16-9-4-11-18-2/h5-8,15-17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol?
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 82314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).