2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol

C16H27NO2 — CID 64803943

IUPAC2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOc1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-12-17-16(2,14-18)11-7-8-13-19-15-9-5-4-6-10-15/h4-6,9-10,17-18H,3,7-8,11-14H2,1-2H3
InChIKeyJVVGPJOBLLUCOS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.99
Rot. Bonds10

About 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol

2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol (PubChem CID 64803943) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
PubChem CID64803943
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOc1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-12-17-16(2,14-18)11-7-8-13-19-15-9-5-4-6-10-15/h4-6,9-10,17-18H,3,7-8,11-14H2,1-2H3
InChIKeyJVVGPJOBLLUCOS-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.99
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-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol (CID 64803943) is 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCOc1ccccc1.
What is the InChIKey of 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol?
The InChIKey is JVVGPJOBLLUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-12-17-16(2,14-18)11-7-8-13-19-15-9-5-4-6-10-15/h4-6,9-10,17-18H,3,7-8,11-14H2,1-2H3.
What are the key properties of 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol?
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64803943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).