5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol

C17H29NO3 — CID 64811409

IUPAC5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOc1cccc(COC)c1
InChIInChI=1S/C17H29NO3/c1-4-10-18-17(2,14-19)9-6-11-21-16-8-5-7-15(12-16)13-20-3/h5,7-8,12,18-19H,4,6,9-11,13-14H2,1-3H3
InChIKeyKWOOSOSEBKJYIF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.74
Rot. Bonds11

About 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol

5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64811409) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64811409
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOc1cccc(COC)c1
InChIInChI=1S/C17H29NO3/c1-4-10-18-17(2,14-19)9-6-11-21-16-8-5-7-15(12-16)13-20-3/h5,7-8,12,18-19H,4,6,9-11,13-14H2,1-3H3
InChIKeyKWOOSOSEBKJYIF-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.74
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

4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64806675
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol (CID 64811409) is 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCOc1cccc(COC)c1.
What is the InChIKey of 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is KWOOSOSEBKJYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-10-18-17(2,14-19)9-6-11-21-16-8-5-7-15(12-16)13-20-3/h5,7-8,12,18-19H,4,6,9-11,13-14H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol?
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64811409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).