1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol

C16H24ClNO2 — CID 66251349

IUPAC1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
SMILESCc1cccc(Cl)c1NCC(O)COC1CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-12-6-5-9-15(17)16(12)18-10-13(19)11-20-14-7-3-2-4-8-14/h5-6,9,13-14,18-19H,2-4,7-8,10-11H2,1H3
InChIKeyIFWICVGRCLPQKQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.77
Rot. Bonds6

About 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol

1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol (PubChem CID 66251349) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
PubChem CID66251349
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
SMILESCc1cccc(Cl)c1NCC(O)COC1CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-12-6-5-9-15(17)16(12)18-10-13(19)11-20-14-7-3-2-4-8-14/h5-6,9,13-14,18-19H,2-4,7-8,10-11H2,1H3
InChIKeyIFWICVGRCLPQKQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 66252739
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol (CID 66251349) is 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol is Cc1cccc(Cl)c1NCC(O)COC1CCCCC1.
What is the InChIKey of 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol?
The InChIKey is IFWICVGRCLPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-6-5-9-15(17)16(12)18-10-13(19)11-20-14-7-3-2-4-8-14/h5-6,9,13-14,18-19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol?
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 66251349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).