1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine

C16H27NO2 — CID 112588003

IUPAC1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCCOC(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-12-9-14(11-17-6)10-13(2)15(12)18-7-8-19-16(3,4)5/h9-10,17H,7-8,11H2,1-6H3
InChIKeyPQYVZDBCSULRKC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds6

About 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine

1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine (PubChem CID 112588003) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
PubChem CID112588003
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCCOC(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-12-9-14(11-17-6)10-13(2)15(12)18-7-8-19-16(3,4)5/h9-10,17H,7-8,11H2,1-6H3
InChIKeyPQYVZDBCSULRKC-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 60877811
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60879861
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
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
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine (CID 112588003) is 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine is CNCc1cc(C)c(OCCOC(C)(C)C)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is PQYVZDBCSULRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-9-14(11-17-6)10-13(2)15(12)18-7-8-19-16(3,4)5/h9-10,17H,7-8,11H2,1-6H3.
What are the key properties of 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 112588003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).