2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol

C16H27NO2 — CID 66003662

IUPAC2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccc(C)cc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)11-17-9-8-16(4,18)14-10-13(3)6-7-15(14)19-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3
InChIKeyUUMVICPOVTZJDI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.85
Rot. Bonds7

About 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol

2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66003662) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID66003662
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccc(C)cc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)11-17-9-8-16(4,18)14-10-13(3)6-7-15(14)19-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3
InChIKeyUUMVICPOVTZJDI-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.85
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-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
3-(4,5-dimethoxy-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79837037
2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
1-(3-bromo-4-methoxyphenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001084
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol (CID 66003662) is 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol is COc1ccc(C)cc1C(C)(O)CCNCC(C)C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is UUMVICPOVTZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)11-17-9-8-16(4,18)14-10-13(3)6-7-15(14)19-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol?
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66003662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).