1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol

C17H26ClNO2 — CID 60901160

IUPAC1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCc1ccc(NCC(O)COC2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-12-4-3-5-15(8-12)21-11-14(20)10-19-17-7-6-13(2)9-16(17)18/h6-7,9,12,14-15,19-20H,3-5,8,10-11H2,1-2H3
InChIKeyMSCAAYAYSBAETQ-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol

1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60901160) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID60901160
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCc1ccc(NCC(O)COC2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-12-4-3-5-15(8-12)21-11-14(20)10-19-17-7-6-13(2)9-16(17)18/h6-7,9,12,14-15,19-20H,3-5,8,10-11H2,1-2H3
InChIKeyMSCAAYAYSBAETQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 107634648
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-(2-chloro-6-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 66252739
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 79099917
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]benzonitrile
CID 60896645
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-[(4-bromothiophen-2-yl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970678

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 60901160) is 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol is Cc1ccc(NCC(O)COC2CCCC(C)C2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is MSCAAYAYSBAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-12-4-3-5-15(8-12)21-11-14(20)10-19-17-7-6-13(2)9-16(17)18/h6-7,9,12,14-15,19-20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60901160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).