1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol

C18H29NO2 — CID 64741127

IUPAC1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC2CCC(C)C(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-13-5-4-6-18(9-13)21-12-17(20)11-19-16-8-7-14(2)15(3)10-16/h4-6,9,14-17,19-20H,7-8,10-12H2,1-3H3
InChIKeySUAAZUHMLYBNHO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.15
Rot. Bonds6

About 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol

1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 64741127) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID64741127
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC2CCC(C)C(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-13-5-4-6-18(9-13)21-12-17(20)11-19-16-8-7-14(2)15(3)10-16/h4-6,9,14-17,19-20H,7-8,10-12H2,1-3H3
InChIKeySUAAZUHMLYBNHO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
CID 64742870
(2S)-1-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95322946
(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 124768112
(2R)-1-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 124768110
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol (CID 64741127) is 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNC2CCC(C)C(C)C2)c1.
What is the InChIKey of 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is SUAAZUHMLYBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-5-4-6-18(9-13)21-12-17(20)11-19-16-8-7-14(2)15(3)10-16/h4-6,9,14-17,19-20H,7-8,10-12H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 64741127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).