3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol

C13H20ClNO2 — CID 115135121

IUPAC3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(C)c(Cl)cc1NCC(C)(C)CO
InChIInChI=1S/C13H20ClNO2/c1-9-5-12(17-4)11(6-10(9)14)15-7-13(2,3)8-16/h5-6,15-16H,7-8H2,1-4H3
InChIKeySAVVOAVCKUQVNX-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.09
Rot. Bonds5

About 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol

3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115135121) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID115135121
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(C)c(Cl)cc1NCC(C)(C)CO
InChIInChI=1S/C13H20ClNO2/c1-9-5-12(17-4)11(6-10(9)14)15-7-13(2,3)8-16/h5-6,15-16H,7-8H2,1-4H3
InChIKeySAVVOAVCKUQVNX-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
3-(3-chloro-4-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 80504258
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 58748362
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol (CID 115135121) is 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol is COc1cc(C)c(Cl)cc1NCC(C)(C)CO.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is SAVVOAVCKUQVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-9-5-12(17-4)11(6-10(9)14)15-7-13(2,3)8-16/h5-6,15-16H,7-8H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).