1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol

C14H23NO3 — CID 64815245

IUPAC1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
SMILESCCOc1ccc(OC(C)CC(C)(O)CN)cc1
InChIInChI=1S/C14H23NO3/c1-4-17-12-5-7-13(8-6-12)18-11(2)9-14(3,16)10-15/h5-8,11,16H,4,9-10,15H2,1-3H3
InChIKeyUWCGJTJRSVGQSR-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds7

About 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol

1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol (PubChem CID 64815245) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
PubChem CID64815245
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
SMILESCCOc1ccc(OC(C)CC(C)(O)CN)cc1
InChIInChI=1S/C14H23NO3/c1-4-17-12-5-7-13(8-6-12)18-11(2)9-14(3,16)10-15/h5-8,11,16H,4,9-10,15H2,1-3H3
InChIKeyUWCGJTJRSVGQSR-UHFFFAOYSA-N
XLogP1.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
CID 62451860
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol (CID 64815245) is 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol is CCOc1ccc(OC(C)CC(C)(O)CN)cc1.
What is the InChIKey of 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol?
The InChIKey is UWCGJTJRSVGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-12-5-7-13(8-6-12)18-11(2)9-14(3,16)10-15/h5-8,11,16H,4,9-10,15H2,1-3H3.
What are the key properties of 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol?
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 64815245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).