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

C16H27NO2 — CID 62595876

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCC(C)C)cc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)10-17-11-16(3,4)13-7-8-14(18-5)15(9-13)19-6/h7-9,12,17H,10-11H2,1-6H3
InChIKeyXICCWDFYMCXRGQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.23
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 62595876) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID62595876
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCC(C)C)cc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)10-17-11-16(3,4)13-7-8-14(18-5)15(9-13)19-6/h7-9,12,17H,10-11H2,1-6H3
InChIKeyXICCWDFYMCXRGQ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
3-(4-chloro-3-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033271
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 119124464
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
3-N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120194
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111835620
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 62595876) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is COc1ccc(C(C)(C)CNCC(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is XICCWDFYMCXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)10-17-11-16(3,4)13-7-8-14(18-5)15(9-13)19-6/h7-9,12,17H,10-11H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62595876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).