4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol

C14H23NO2 — CID 106676183

IUPAC4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
SMILESCOC(C)(C)CC(CO)Nc1cccc(C)c1
InChIInChI=1S/C14H23NO2/c1-11-6-5-7-12(8-11)15-13(10-16)9-14(2,3)17-4/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyVADCPZOXCLFBEY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds6

About 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol

4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol (PubChem CID 106676183) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
PubChem CID106676183
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
SMILESCOC(C)(C)CC(CO)Nc1cccc(C)c1
InChIInChI=1S/C14H23NO2/c1-11-6-5-7-12(8-11)15-13(10-16)9-14(2,3)17-4/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyVADCPZOXCLFBEY-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
CID 106675959
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
2-(3-methylanilino)-4-methylsulfanylbutan-1-ol
CID 61048388
2-(3-methylanilino)octan-1-ol
CID 61049186
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
4,4-dimethyl-2-(3-methylanilino)pentanoic acid
CID 62951160
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
CID 106675722
3-(3-methylanilino)propane-1,2-diol
CID 3016394

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol (CID 106676183) is 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol is COC(C)(C)CC(CO)Nc1cccc(C)c1.
What is the InChIKey of 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol?
The InChIKey is VADCPZOXCLFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-5-7-12(8-11)15-13(10-16)9-14(2,3)17-4/h5-8,13,15-16H,9-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol?
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol is sourced from PubChem (CID 106676183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).