2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine

C18H31NO2 — CID 62456625

IUPAC2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCC(C)(C)OCCOc1ccccc1CNCC(C)C
InChIInChI=1S/C18H31NO2/c1-6-18(4,5)21-12-11-20-17-10-8-7-9-16(17)14-19-13-15(2)3/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyZQDKCQIRZPBFFR-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.02
Rot. Bonds10

About 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62456625) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62456625
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCC(C)(C)OCCOc1ccccc1CNCC(C)C
InChIInChI=1S/C18H31NO2/c1-6-18(4,5)21-12-11-20-17-10-8-7-9-16(17)14-19-13-15(2)3/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyZQDKCQIRZPBFFR-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.02
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

N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107696753
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine (CID 62456625) is 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine is CCC(C)(C)OCCOc1ccccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is ZQDKCQIRZPBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-18(4,5)21-12-11-20-17-10-8-7-9-16(17)14-19-13-15(2)3/h7-10,15,19H,6,11-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62456625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).