2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine

C16H27NO — CID 116931174

IUPAC2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(C)c(C)cc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)15(10-17-5)9-14-7-12(3)13(4)8-16(14)18-6/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyILIAWJIRRZNLTO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine

2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 116931174) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID116931174
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(C)c(C)cc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-11(2)15(10-17-5)9-14-7-12(3)13(4)8-16(14)18-6/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyILIAWJIRRZNLTO-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
CID 116931006
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959
1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
CID 112513297

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (CID 116931174) is 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is CNCC(Cc1cc(C)c(C)cc1OC)C(C)C.
What is the InChIKey of 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is ILIAWJIRRZNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)15(10-17-5)9-14-7-12(3)13(4)8-16(14)18-6/h7-8,11,15,17H,9-10H2,1-6H3.
What are the key properties of 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116931174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).