4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine

C15H25NO — CID 55090548

IUPAC4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-16-15(10-11-17-5-2)12-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyIOXOGKCJWAYONE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine

4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine (PubChem CID 55090548) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
PubChem CID55090548
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-16-15(10-11-17-5-2)12-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyIOXOGKCJWAYONE-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-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

1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105174695
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
CID 63833817
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
CID 66041741
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine (CID 55090548) is 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine is CCNC(CCOCC)Cc1ccccc1C.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine?
The InChIKey is IOXOGKCJWAYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16-15(10-11-17-5-2)12-14-9-7-6-8-13(14)3/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine?
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 55090548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).