4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol

C17H29NO2 — CID 83934397

IUPAC4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
SMILESCCOc1ccc(CCC(O)C(C)N)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-10-8-13(7-9-15(19)12(2)18)11-14(16)17(3,4)5/h8,10-12,15,19H,6-7,9,18H2,1-5H3
InChIKeyLUBCDVNSYGKBRH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.02
Rot. Bonds6

About 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol

4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol (PubChem CID 83934397) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
PubChem CID83934397
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
SMILESCCOc1ccc(CCC(O)C(C)N)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-10-8-13(7-9-15(19)12(2)18)11-14(16)17(3,4)5/h8,10-12,15,19H,6-7,9,18H2,1-5H3
InChIKeyLUBCDVNSYGKBRH-UHFFFAOYSA-N
XLogP3.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
4-(3-tert-butyl-4-ethoxyphenyl)butanenitrile
CID 83934358
4-amino-1-(3,4-diethoxyphenyl)heptan-3-ol
CID 83923629
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-(4-ethoxy-3-propan-2-ylphenyl)hexane-3,4-diol
CID 83935305
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol (CID 83934397) is 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol is CCOc1ccc(CCC(O)C(C)N)cc1C(C)(C)C.
What is the InChIKey of 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol?
The InChIKey is LUBCDVNSYGKBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-20-16-10-8-13(7-9-15(19)12(2)18)11-14(16)17(3,4)5/h8,10-12,15,19H,6-7,9,18H2,1-5H3.
What are the key properties of 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol?
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol has a molecular weight of 279.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol is sourced from PubChem (CID 83934397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).