3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine

C16H27NO2 — CID 116811382

IUPAC3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cccc(OC)c1C(C)C(C)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)17-10-12(3)13(4)16-14(18-5)8-7-9-15(16)19-6/h7-9,11-13,17H,10H2,1-6H3
InChIKeyWOFPNULCRCERCR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.44
Rot. Bonds7

About 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine

3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 116811382) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID116811382
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cccc(OC)c1C(C)C(C)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)17-10-12(3)13(4)16-14(18-5)8-7-9-15(16)19-6/h7-9,11-13,17H,10H2,1-6H3
InChIKeyWOFPNULCRCERCR-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
2-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 104794746

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 116811382) is 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine is COc1cccc(OC)c1C(C)C(C)CNC(C)C.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is WOFPNULCRCERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)17-10-12(3)13(4)16-14(18-5)8-7-9-15(16)19-6/h7-9,11-13,17H,10H2,1-6H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 116811382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).