2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine

C15H25NO — CID 116931118

IUPAC2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1cc(C)cc(C)c1CC(CN)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)13(9-16)8-14-12(4)6-11(3)7-15(14)17-5/h6-7,10,13H,8-9,16H2,1-5H3
InChIKeyQHONRJDMCMEHTC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds5

About 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine

2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 116931118) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID116931118
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1cc(C)cc(C)c1CC(CN)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)13(9-16)8-14-12(4)6-11(3)7-15(14)17-5/h6-7,10,13H,8-9,16H2,1-5H3
InChIKeyQHONRJDMCMEHTC-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-methylpropyl)-1-methoxy-3,5-dimethylbenzene
CID 106681362
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine (CID 116931118) is 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine is COc1cc(C)cc(C)c1CC(CN)C(C)C.
What is the InChIKey of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is QHONRJDMCMEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)13(9-16)8-14-12(4)6-11(3)7-15(14)17-5/h6-7,10,13H,8-9,16H2,1-5H3.
What are the key properties of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine?
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 116931118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).