1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine

C16H27NO — CID 82927420

IUPAC1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCCC(CC)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H27NO/c1-6-14(7-2)11-18-16-12(3)8-15(10-17-5)9-13(16)4/h8-9,14,17H,6-7,10-11H2,1-5H3
InChIKeyZFZVMSQDRBHYQF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds7

About 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine

1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine (PubChem CID 82927420) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
PubChem CID82927420
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCCC(CC)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H27NO/c1-6-14(7-2)11-18-16-12(3)8-15(10-17-5)9-13(16)4/h8-9,14,17H,6-7,10-11H2,1-5H3
InChIKeyZFZVMSQDRBHYQF-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 112588003
1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 60877811
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65211332

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine (CID 82927420) is 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine is CCC(CC)COc1c(C)cc(CNC)cc1C.
What is the InChIKey of 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine?
The InChIKey is ZFZVMSQDRBHYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-14(7-2)11-18-16-12(3)8-15(10-17-5)9-13(16)4/h8-9,14,17H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine?
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine is sourced from PubChem (CID 82927420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).