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

C16H27NO — CID 71002758

IUPACN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCOc1ccc(CN(C)CCC(C)C)c(C)c1C
InChIInChI=1S/C16H27NO/c1-12(2)9-10-17(5)11-15-7-8-16(18-6)14(4)13(15)3/h7-8,12H,9-11H2,1-6H3
InChIKeyVABFGWFBDGGZOR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds6

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

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 71002758) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID71002758
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCOc1ccc(CN(C)CCC(C)C)c(C)c1C
InChIInChI=1S/C16H27NO/c1-12(2)9-10-17(5)11-15-7-8-16(18-6)14(4)13(15)3/h7-8,12H,9-11H2,1-6H3
InChIKeyVABFGWFBDGGZOR-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
2-amino-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,2-dimethylpropanamide
CID 115152731

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine (CID 71002758) is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is COc1ccc(CN(C)CCC(C)C)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is VABFGWFBDGGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)9-10-17(5)11-15-7-8-16(18-6)14(4)13(15)3/h7-8,12H,9-11H2,1-6H3.
What are the key properties of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine?
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 71002758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).