1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine

C13H21NO2 — CID 117320489

IUPAC1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-9-10(8-13(2,3)14)6-7-11(15-4)12(9)16-5/h6-7H,8,14H2,1-5H3
InChIKeyQHRZQWVDYAPYEZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine

1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117320489) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
PubChem CID117320489
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-9-10(8-13(2,3)14)6-7-11(15-4)12(9)16-5/h6-7H,8,14H2,1-5H3
InChIKeyQHRZQWVDYAPYEZ-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(8-methoxy-2-methylquinolin-5-yl)-2-methylpropan-2-amine
CID 82577235
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine (CID 117320489) is 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(C)N)c(C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is QHRZQWVDYAPYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-10(8-13(2,3)14)6-7-11(15-4)12(9)16-5/h6-7H,8,14H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine?
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117320489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).