2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol

C16H27NO2 — CID 64804791

IUPAC2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)14-8-5-6-9-15(14)19-11-7-10-16(3,12-18)17-4/h5-6,8-9,13,17-18H,7,10-12H2,1-4H3
InChIKeyJUMYRAAZCONHAT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds8

About 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol

2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64804791) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64804791
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)14-8-5-6-9-15(14)19-11-7-10-16(3,12-18)17-4/h5-6,8-9,13,17-18H,7,10-12H2,1-4H3
InChIKeyJUMYRAAZCONHAT-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
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-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 64803488
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
CID 94686635
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
CID 64804789
2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
CID 2249072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol (CID 64804791) is 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol is CNC(C)(CO)CCCOc1ccccc1C(C)C.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is JUMYRAAZCONHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)14-8-5-6-9-15(14)19-11-7-10-16(3,12-18)17-4/h5-6,8-9,13,17-18H,7,10-12H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol?
2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.94, 8 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-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64804791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).