N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine

C15H25NO — CID 117044095

IUPACN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1c(C)c(C)cc(C)c1CN(C)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)16(6)9-14-12(4)8-11(3)13(5)15(14)17-7/h8,10H,9H2,1-7H3
InChIKeyMOGUUDQLXXEARZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds4

About N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine

N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 117044095) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
PubChem CID117044095
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1c(C)c(C)cc(C)c1CN(C)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)16(6)9-14-12(4)8-11(3)13(5)15(14)17-7/h8,10H,9H2,1-7H3
InChIKeyMOGUUDQLXXEARZ-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199468
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine (CID 117044095) is N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine is COc1c(C)c(C)cc(C)c1CN(C)C(C)C.
What is the InChIKey of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is MOGUUDQLXXEARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)16(6)9-14-12(4)8-11(3)13(5)15(14)17-7/h8,10H,9H2,1-7H3.
What are the key properties of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine?
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 117044095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).