1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine

C18H31NO2 — CID 63834170

IUPAC1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)CC(C)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-13(18(2,3)4)10-15(19-5)11-14-8-9-16(20-6)17(12-14)21-7/h8-9,12-13,15,19H,10-11H2,1-7H3
InChIKeyZCUOLNDFNJMNHN-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.91
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine

1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine (PubChem CID 63834170) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
PubChem CID63834170
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)CC(C)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-13(18(2,3)4)10-15(19-5)11-14-8-9-16(20-6)17(12-14)21-7/h8-9,12-13,15,19H,10-11H2,1-7H3
InChIKeyZCUOLNDFNJMNHN-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4,5,5-trimethylhexyl)-1,2-dimethoxybenzene
CID 63834565
1-(3,4-dimethoxyphenyl)-4,5,5-trimethylhexan-2-ol
CID 63834551
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63192132
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine (CID 63834170) is 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine is CNC(Cc1ccc(OC)c(OC)c1)CC(C)C(C)(C)C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine?
The InChIKey is ZCUOLNDFNJMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(18(2,3)4)10-15(19-5)11-14-8-9-16(20-6)17(12-14)21-7/h8-9,12-13,15,19H,10-11H2,1-7H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine?
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 63834170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).