2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol

C15H25NO2 — CID 83936683

IUPAC2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
SMILESCCOc1ccc(C(C)CC(O)C(C)N)c(C)c1
InChIInChI=1S/C15H25NO2/c1-5-18-13-6-7-14(10(2)8-13)11(3)9-15(17)12(4)16/h6-8,11-12,15,17H,5,9,16H2,1-4H3
InChIKeyCWRSDPFFEADSME-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.60
Rot. Bonds6

About 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol

2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol (PubChem CID 83936683) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
PubChem CID83936683
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
SMILESCCOc1ccc(C(C)CC(O)C(C)N)c(C)c1
InChIInChI=1S/C15H25NO2/c1-5-18-13-6-7-14(10(2)8-13)11(3)9-15(17)12(4)16/h6-8,11-12,15,17H,5,9,16H2,1-4H3
InChIKeyCWRSDPFFEADSME-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
2-[2-methyl-4-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83937075
1-(4-bromobutan-2-yl)-4-ethoxy-2-methylbenzene
CID 83936582
6-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937319
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
CID 83931550
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250
2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
CID 83936851
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol (CID 83936683) is 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol is CCOc1ccc(C(C)CC(O)C(C)N)c(C)c1.
What is the InChIKey of 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol?
The InChIKey is CWRSDPFFEADSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-18-13-6-7-14(10(2)8-13)11(3)9-15(17)12(4)16/h6-8,11-12,15,17H,5,9,16H2,1-4H3.
What are the key properties of 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol?
2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol is sourced from PubChem (CID 83936683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).