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

C17H29NO2 — CID 64803488

IUPAC2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)15-8-7-14(3)11-16(15)20-10-6-9-17(4,12-19)18-5/h7-8,11,13,18-19H,6,9-10,12H2,1-5H3
InChIKeyKGFKVRUMWGJUNC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.25
Rot. Bonds8

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

2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64803488) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64803488
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)15-8-7-14(3)11-16(15)20-10-6-9-17(4,12-19)18-5/h7-8,11,13,18-19H,6,9-10,12H2,1-5H3
InChIKeyKGFKVRUMWGJUNC-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.25
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-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804791
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol (CID 64803488) is 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol is CNC(C)(CO)CCCOc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is KGFKVRUMWGJUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)15-8-7-14(3)11-16(15)20-10-6-9-17(4,12-19)18-5/h7-8,11,13,18-19H,6,9-10,12H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol?
2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.25, 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-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64803488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).