2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine

C15H25NO — CID 115258991

IUPAC2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCC(C)c1ccc(CCN(C)COC)cc1
InChIInChI=1S/C15H25NO/c1-5-13(2)15-8-6-14(7-9-15)10-11-16(3)12-17-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyOZAFJDRKOUDXGE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine

2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115258991) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115258991
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCC(C)c1ccc(CCN(C)COC)cc1
InChIInChI=1S/C15H25NO/c1-5-13(2)15-8-6-14(7-9-15)10-11-16(3)12-17-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyOZAFJDRKOUDXGE-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(4-butan-2-ylphenyl)ethyl-methylamino]methanethiol
CID 115228380
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
CID 91622025
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115258991) is 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine is CCC(C)c1ccc(CCN(C)COC)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is OZAFJDRKOUDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(2)15-8-6-14(7-9-15)10-11-16(3)12-17-4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115258991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).