1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C17H27NO3 — CID 60899171

IUPAC1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCOc1ccccc1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C17H27NO3/c1-13-7-9-15(10-8-13)21-12-14(19)11-18-16-5-3-4-6-17(16)20-2/h3-6,13-15,18-19H,7-12H2,1-2H3
InChIKeyLTGJKQMMNNDMNK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60899171) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID60899171
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCOc1ccccc1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C17H27NO3/c1-13-7-9-15(10-8-13)21-12-14(19)11-18-16-5-3-4-6-17(16)20-2/h3-6,13-15,18-19H,7-12H2,1-2H3
InChIKeyLTGJKQMMNNDMNK-UHFFFAOYSA-N
XLogP3.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62811193
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
CID 60896826
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 60899171) is 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is COc1ccccc1NCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is LTGJKQMMNNDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-7-9-15(10-8-13)21-12-14(19)11-18-16-5-3-4-6-17(16)20-2/h3-6,13-15,18-19H,7-12H2,1-2H3.
What are the key properties of 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60899171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).