2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol

C16H27NO2 — CID 64806676

IUPAC2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1OCCC(C)(N)CO
InChIInChI=1S/C16H27NO2/c1-12-10-13(15(2,3)4)6-7-14(12)19-9-8-16(5,17)11-18/h6-7,10,18H,8-9,11,17H2,1-5H3
InChIKeyGVTOOAZAQDWPBA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol

2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol (PubChem CID 64806676) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
PubChem CID64806676
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1OCCC(C)(N)CO
InChIInChI=1S/C16H27NO2/c1-12-10-13(15(2,3)4)6-7-14(12)19-9-8-16(5,17)11-18/h6-7,10,18H,8-9,11,17H2,1-5H3
InChIKeyGVTOOAZAQDWPBA-UHFFFAOYSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol
CID 106810572
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-amino-6-(2-tert-butyl-4-methylphenoxy)-2-methylhexan-1-ol
CID 64802218
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
2-amino-5-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855935
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
3-[4-[[4-(3-hydroxypropoxy)-3-methylphenyl]-diphenylmethyl]-2-methylphenoxy]propan-1-ol
CID 139641149

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol (CID 64806676) is 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol is Cc1cc(C(C)(C)C)ccc1OCCC(C)(N)CO.
What is the InChIKey of 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol?
The InChIKey is GVTOOAZAQDWPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-10-13(15(2,3)4)6-7-14(12)19-9-8-16(5,17)11-18/h6-7,10,18H,8-9,11,17H2,1-5H3.
What are the key properties of 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol?
2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 64806676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).