2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol

C16H27NO3 — CID 64802154

IUPAC2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOCCOc1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)17-16(3,13-18)9-10-19-11-12-20-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyAVLHSDXCCRBYHK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.22
Rot. Bonds10

About 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol

2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64802154) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64802154
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOCCOc1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)17-16(3,13-18)9-10-19-11-12-20-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyAVLHSDXCCRBYHK-UHFFFAOYSA-N
XLogP2.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
CID 64804028
2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
CID 64803815
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-(2-phenoxyethoxy)ethanol
CID 7715
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol (CID 64802154) is 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCOCCOc1ccccc1.
What is the InChIKey of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is AVLHSDXCCRBYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)17-16(3,13-18)9-10-19-11-12-20-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3.
What are the key properties of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol?
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64802154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).