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

C17H29NO3 — CID 64804028

IUPAC2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)OCCOc1ccccc1
InChIInChI=1S/C17H29NO3/c1-14(2)18-17(4,13-19)12-15(3)20-10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18-19H,10-13H2,1-4H3
InChIKeyJJTPCMYZUPVTAF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.61
Rot. Bonds10

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

2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64804028) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64804028
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)OCCOc1ccccc1
InChIInChI=1S/C17H29NO3/c1-14(2)18-17(4,13-19)12-15(3)20-10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18-19H,10-13H2,1-4H3
InChIKeyJJTPCMYZUPVTAF-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
2-methyl-2-(methylamino)-4-(2-phenoxyethoxy)pentanamide
CID 64707362
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64802828
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
CID 175384106
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 107171567
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
4-(cyclopropylmethoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64803226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol (CID 64804028) is 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)OCCOc1ccccc1.
What is the InChIKey of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is JJTPCMYZUPVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-14(2)18-17(4,13-19)12-15(3)20-10-11-21-16-8-6-5-7-9-16/h5-9,14-15,18-19H,10-13H2,1-4H3.
What are the key properties of 2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol?
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.61, 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)pentan-1-ol is sourced from PubChem (CID 64804028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).