1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol

C15H25NO3 — CID 83923626

IUPAC1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
SMILESCCOc1ccc(C(C)CC(O)CN)cc1OCC
InChIInChI=1S/C15H25NO3/c1-4-18-14-7-6-12(9-15(14)19-5-2)11(3)8-13(17)10-16/h6-7,9,11,13,17H,4-5,8,10,16H2,1-3H3
InChIKeyCFWWOZUKGWVQFY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.30
Rot. Bonds8

About 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol

1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol (PubChem CID 83923626) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
PubChem CID83923626
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
SMILESCCOc1ccc(C(C)CC(O)CN)cc1OCC
InChIInChI=1S/C15H25NO3/c1-4-18-14-7-6-12(9-15(14)19-5-2)11(3)8-13(17)10-16/h6-7,9,11,13,17H,4-5,8,10,16H2,1-3H3
InChIKeyCFWWOZUKGWVQFY-UHFFFAOYSA-N
XLogP2.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
6-(4-ethoxy-3-propan-2-ylphenyl)heptane-3,4-diol
CID 83935306
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol (CID 83923626) is 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol is CCOc1ccc(C(C)CC(O)CN)cc1OCC.
What is the InChIKey of 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol?
The InChIKey is CFWWOZUKGWVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-18-14-7-6-12(9-15(14)19-5-2)11(3)8-13(17)10-16/h6-7,9,11,13,17H,4-5,8,10,16H2,1-3H3.
What are the key properties of 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol?
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).