3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C16H27NO2 — CID 64665230

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(CC(C)CNCC(C)C)cc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)10-17-11-13(3)8-14-6-7-15(18-4)16(9-14)19-5/h6-7,9,12-13,17H,8,10-11H2,1-5H3
InChIKeyQCZZTRVIDYLISN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 64665230) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID64665230
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(CC(C)CNCC(C)C)cc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)10-17-11-13(3)8-14-6-7-15(18-4)16(9-14)19-5/h6-7,9,12-13,17H,8,10-11H2,1-5H3
InChIKeyQCZZTRVIDYLISN-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 64665230) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is COc1ccc(CC(C)CNCC(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is QCZZTRVIDYLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)10-17-11-13(3)8-14-6-7-15(18-4)16(9-14)19-5/h6-7,9,12-13,17H,8,10-11H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 64665230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).