1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol

C13H21NO2 — CID 116942110

IUPAC1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(C(N)C(C)(C)O)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)11(16-5)7-6-10(8)12(14)13(3,4)15/h6-7,12,15H,14H2,1-5H3
InChIKeyODFCKDYEBPYNFI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.08
Rot. Bonds3

About 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol

1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol (PubChem CID 116942110) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
PubChem CID116942110
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(C(N)C(C)(C)O)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)11(16-5)7-6-10(8)12(14)13(3,4)15/h6-7,12,15H,14H2,1-5H3
InChIKeyODFCKDYEBPYNFI-UHFFFAOYSA-N
XLogP2.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933582
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol (CID 116942110) is 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol is COc1ccc(C(N)C(C)(C)O)c(C)c1C.
What is the InChIKey of 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol?
The InChIKey is ODFCKDYEBPYNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-9(2)11(16-5)7-6-10(8)12(14)13(3,4)15/h6-7,12,15H,14H2,1-5H3.
What are the key properties of 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol?
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).