1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine

C13H21NO — CID 116914636

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)N(C)C)c(C)c1C
InChIInChI=1S/C13H21NO/c1-9-10(2)13(15-6)8-7-12(9)11(3)14(4)5/h7-8,11H,1-6H3
InChIKeyHZOVFQORLVYIRJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine (PubChem CID 116914636) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
PubChem CID116914636
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)N(C)C)c(C)c1C
InChIInChI=1S/C13H21NO/c1-9-10(2)13(15-6)8-7-12(9)11(3)14(4)5/h7-8,11H,1-6H3
InChIKeyHZOVFQORLVYIRJ-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 58951787
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine (CID 116914636) is 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine is COc1ccc(C(C)N(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine?
The InChIKey is HZOVFQORLVYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-10(2)13(15-6)8-7-12(9)11(3)14(4)5/h7-8,11H,1-6H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine?
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).