1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol

C17H29NO2 — CID 83934400

IUPAC1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
SMILESCCOc1ccc(C(C)CC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-8-7-13(10-15(16)17(3,4)5)12(2)9-14(19)11-18/h7-8,10,12,14,19H,6,9,11,18H2,1-5H3
InChIKeyUSXLTLSNIMGOIP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.20
Rot. Bonds6

About 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol

1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol (PubChem CID 83934400) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
PubChem CID83934400
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
SMILESCCOc1ccc(C(C)CC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-8-7-13(10-15(16)17(3,4)5)12(2)9-14(19)11-18/h7-8,10,12,14,19H,6,9,11,18H2,1-5H3
InChIKeyUSXLTLSNIMGOIP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
2-tert-butyl-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83934352
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263878
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol (CID 83934400) is 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol is CCOc1ccc(C(C)CC(O)CN)cc1C(C)(C)C.
What is the InChIKey of 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol?
The InChIKey is USXLTLSNIMGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-20-16-8-7-13(10-15(16)17(3,4)5)12(2)9-14(19)11-18/h7-8,10,12,14,19H,6,9,11,18H2,1-5H3.
What are the key properties of 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol?
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83934400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).