2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

C16H27NO — CID 115728760

IUPAC2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27NO/c1-11-8-13(3)15(9-12(11)2)14(4)17-10-16(5,6)18-7/h8-9,14,17H,10H2,1-7H3
InChIKeyWYPFLXLVBUVNQO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.69
Rot. Bonds5

About 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 115728760) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
PubChem CID115728760
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27NO/c1-11-8-13(3)15(9-12(11)2)14(4)17-10-16(5,6)18-7/h8-9,14,17H,10H2,1-7H3
InChIKeyWYPFLXLVBUVNQO-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine
CID 113450013
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734
methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
CID 43725782
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 62844651
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (CID 115728760) is 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is COC(C)(C)CNC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is WYPFLXLVBUVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-8-13(3)15(9-12(11)2)14(4)17-10-16(5,6)18-7/h8-9,14,17H,10H2,1-7H3.
What are the key properties of 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115728760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).