3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol

C17H29NO2 — CID 114357898

IUPAC3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)c1ccc(OC(CO)C(N)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)12-7-9-13(10-8-12)20-14(11-19)15(18)17(4,5)6/h7-10,14-15,19H,11,18H2,1-6H3
InChIKeySBDHFDXQMLCCLA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol

3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol (PubChem CID 114357898) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
PubChem CID114357898
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)c1ccc(OC(CO)C(N)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)12-7-9-13(10-8-12)20-14(11-19)15(18)17(4,5)6/h7-10,14-15,19H,11,18H2,1-6H3
InChIKeySBDHFDXQMLCCLA-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
CID 114358144
3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
CID 114358190
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114357832
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408
3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 114358206
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol (CID 114357898) is 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol is CC(C)(C)c1ccc(OC(CO)C(N)C(C)(C)C)cc1.
What is the InChIKey of 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol?
The InChIKey is SBDHFDXQMLCCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)12-7-9-13(10-8-12)20-14(11-19)15(18)17(4,5)6/h7-10,14-15,19H,11,18H2,1-6H3.
What are the key properties of 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol?
3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).