2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol

C16H27NO2 — CID 64807692

IUPAC2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C16H27NO2/c1-12-7-8-13(2)15(14(12)3)19-10-6-9-16(4,11-18)17-5/h7-8,17-18H,6,9-11H2,1-5H3
InChIKeyZIBMVXDWVJAAAR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol

2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol (PubChem CID 64807692) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
PubChem CID64807692
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C16H27NO2/c1-12-7-8-13(2)15(14(12)3)19-10-6-9-16(4,11-18)17-5/h7-8,17-18H,6,9-11H2,1-5H3
InChIKeyZIBMVXDWVJAAAR-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
1-amino-2-methyl-5-(2,3,6-trimethylphenoxy)pentan-2-ol
CID 64813384
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
2,2-dimethyl-5-(2,3,6-trimethylphenoxy)pentanethioamide
CID 65257231
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 64803053
2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 64803488
2,2-dimethyl-6-(2,3,6-trimethylphenoxy)hexan-1-amine
CID 106708623
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol (CID 64807692) is 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol is CNC(C)(CO)CCCOc1c(C)ccc(C)c1C.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The InChIKey is ZIBMVXDWVJAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-7-8-13(2)15(14(12)3)19-10-6-9-16(4,11-18)17-5/h7-8,17-18H,6,9-11H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol is sourced from PubChem (CID 64807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).