1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C18H29NO2 — CID 62332086

IUPAC1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCc1cccc(C)c1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C18H29NO2/c1-13-7-9-17(10-8-13)21-12-16(20)11-19-18-14(2)5-4-6-15(18)3/h4-6,13,16-17,19-20H,7-12H2,1-3H3
InChIKeyVKAVIJJHQFZMLR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.67
Rot. Bonds6

About 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 62332086) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID62332086
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCc1cccc(C)c1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C18H29NO2/c1-13-7-9-17(10-8-13)21-12-16(20)11-19-18-14(2)5-4-6-15(18)3/h4-6,13,16-17,19-20H,7-12H2,1-3H3
InChIKeyVKAVIJJHQFZMLR-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 ≤ 500291.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2-chloro-6-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 66252739
1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62811193
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 62332086) is 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is Cc1cccc(C)c1NCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is VKAVIJJHQFZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-7-9-17(10-8-13)21-12-16(20)11-19-18-14(2)5-4-6-15(18)3/h4-6,13,16-17,19-20H,7-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 291.44 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-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 62332086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).