1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol

C17H26BrNO2 — CID 60633338

IUPAC1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-12-3-6-14(7-4-12)19-10-15(20)11-21-17-8-5-13(2)9-16(17)18/h5,8-9,12,14-15,19-20H,3-4,6-7,10-11H2,1-2H3
InChIKeyDVZIWQUWLLYQGH-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol

1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60633338) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
PubChem CID60633338
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-12-3-6-14(7-4-12)19-10-15(20)11-21-17-8-5-13(2)9-16(17)18/h5,8-9,12,14-15,19-20H,3-4,6-7,10-11H2,1-2H3
InChIKeyDVZIWQUWLLYQGH-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
1-(2-bromo-4-methylphenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)amino]propan-2-ol
CID 63296401
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 2304367
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-(2-bromo-4-methylphenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 60633111
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-(2-bromo-4-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640849

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol (CID 60633338) is 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol is Cc1ccc(OCC(O)CNC2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is DVZIWQUWLLYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-12-3-6-14(7-4-12)19-10-15(20)11-21-17-8-5-13(2)9-16(17)18/h5,8-9,12,14-15,19-20H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 356.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60633338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).