1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol

C15H25NO2 — CID 83940901

IUPAC1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
SMILESCCOc1cc(C)c(C(C)CC(O)CN)cc1C
InChIInChI=1S/C15H25NO2/c1-5-18-15-8-11(3)14(7-12(15)4)10(2)6-13(17)9-16/h7-8,10,13,17H,5-6,9,16H2,1-4H3
InChIKeyABHSLHHRNLIJGC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.52
Rot. Bonds6

About 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol

1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol (PubChem CID 83940901) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
PubChem CID83940901
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
SMILESCCOc1cc(C)c(C(C)CC(O)CN)cc1C
InChIInChI=1S/C15H25NO2/c1-5-18-15-8-11(3)14(7-12(15)4)10(2)6-13(17)9-16/h7-8,10,13,17H,5-6,9,16H2,1-4H3
InChIKeyABHSLHHRNLIJGC-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol (CID 83940901) is 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol is CCOc1cc(C)c(C(C)CC(O)CN)cc1C.
What is the InChIKey of 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol?
The InChIKey is ABHSLHHRNLIJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-18-15-8-11(3)14(7-12(15)4)10(2)6-13(17)9-16/h7-8,10,13,17H,5-6,9,16H2,1-4H3.
What are the key properties of 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol?
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol is sourced from PubChem (CID 83940901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).