2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol

C16H27NO2 — CID 66334410

IUPAC2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-10-17-11-16(4,18)12-19-15-8-6-14(7-9-15)13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyODECCXCOCGUWSA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds8

About 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol

2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol (PubChem CID 66334410) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
PubChem CID66334410
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-10-17-11-16(4,18)12-19-15-8-6-14(7-9-15)13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3
InChIKeyODECCXCOCGUWSA-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
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-1-(3-methyl-4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66335780
1-(4-bromo-3-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 83133948
1-(3-bromophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335329
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
2,3-dimethyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114491573
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
ethane;2-methyl-2-[(4-propan-2-ylphenoxy)methyl]butanoic acid
CID 142270004
3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047
1-[4-(1-hydroxypropyl)phenoxy]-2-methylbutan-2-ol
CID 114494418
1-(2-tert-butyl-5-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66334434
1-(2-tert-butyl-4-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66336391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol (CID 66334410) is 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol is CCCNCC(C)(O)COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol?
The InChIKey is ODECCXCOCGUWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-10-17-11-16(4,18)12-19-15-8-6-14(7-9-15)13(2)3/h6-9,13,17-18H,5,10-12H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol?
2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66334410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).