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

C19H33NO — CID 103435247

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C19H33NO/c1-13(12-19(4,5)6)11-17(20-7)16-10-9-14(2)15(3)18(16)21-8/h9-10,13,17,20H,11-12H2,1-8H3
InChIKeyOSPZDIKETPHYAK-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.03
Rot. Bonds6

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

1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 103435247) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID103435247
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C19H33NO/c1-13(12-19(4,5)6)11-17(20-7)16-10-9-14(2)15(3)18(16)21-8/h9-10,13,17,20H,11-12H2,1-8H3
InChIKeyOSPZDIKETPHYAK-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79724133
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103434677
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 103435247) is 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is OSPZDIKETPHYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-13(12-19(4,5)6)11-17(20-7)16-10-9-14(2)15(3)18(16)21-8/h9-10,13,17,20H,11-12H2,1-8H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 103435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).