1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol

C18H29NO2 — CID 60632624

IUPAC1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1CCCCC1C
InChIInChI=1S/C18H29NO2/c1-13-7-4-5-10-17(13)19-11-16(20)12-21-18-14(2)8-6-9-15(18)3/h6,8-9,13,16-17,19-20H,4-5,7,10-12H2,1-3H3
InChIKeyZXAINNICFVASDN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.21
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol

1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60632624) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
PubChem CID60632624
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1CCCCC1C
InChIInChI=1S/C18H29NO2/c1-13-7-4-5-10-17(13)19-11-16(20)12-21-18-14(2)8-6-9-15(18)3/h6,8-9,13,16-17,19-20H,4-5,7,10-12H2,1-3H3
InChIKeyZXAINNICFVASDN-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,6-dimethylphenoxy)-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80714789
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352285
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (CID 60632624) is 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is Cc1cccc(C)c1OCC(O)CNC1CCCCC1C.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is ZXAINNICFVASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-7-4-5-10-17(13)19-11-16(20)12-21-18-14(2)8-6-9-15(18)3/h6,8-9,13,16-17,19-20H,4-5,7,10-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60632624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).