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

C16H24BrNO2 — CID 60632582

IUPAC1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCCC1NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-12-4-2-3-5-16(12)18-10-14(19)11-20-15-8-6-13(17)7-9-15/h6-9,12,14,16,18-19H,2-5,10-11H2,1H3
InChIKeyILKZELJWPUYXJV-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.36
Rot. Bonds6

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

1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60632582) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
PubChem CID60632582
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCCC1NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-12-4-2-3-5-16(12)18-10-14(19)11-20-15-8-6-13(17)7-9-15/h6-9,12,14,16,18-19H,2-5,10-11H2,1H3
InChIKeyILKZELJWPUYXJV-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-[2-(4-bromophenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol
CID 11835432
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (CID 60632582) is 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is CC1CCCCC1NCC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is ILKZELJWPUYXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12-4-2-3-5-16(12)18-10-14(19)11-20-15-8-6-13(17)7-9-15/h6-9,12,14,16,18-19H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 342.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60632582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).