2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C17H29NO — CID 116716569

IUPAC2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(CC)C(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-16(19-7-2)17(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3
InChIKeyRRAYJCLTXOJYNQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.96
Rot. Bonds8

About 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 116716569) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID116716569
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(CC)C(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-16(19-7-2)17(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3
InChIKeyRRAYJCLTXOJYNQ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-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

2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716616
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
2-ethoxy-1-(3-ethylphenyl)-N-methyl-2-phenylethanamine
CID 116773666
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 116716569) is 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CCOC(CC)C(NC)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is RRAYJCLTXOJYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-16(19-7-2)17(18-5)15-10-8-9-14(12-15)11-13(3)4/h8-10,12-13,16-18H,6-7,11H2,1-5H3.
What are the key properties of 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 116716569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).