4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine

C15H25NO — CID 62514359

IUPAC4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCCOCCC(CNC)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-17-9-8-15(12-16-3)11-14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12H2,1-3H3
InChIKeyIHPNCXYXBWGBND-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds8

About 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine

4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine (PubChem CID 62514359) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
PubChem CID62514359
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCCOCCC(CNC)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-17-9-8-15(12-16-3)11-14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12H2,1-3H3
InChIKeyIHPNCXYXBWGBND-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-methyl-2-[(3-methylphenyl)methyl]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

1-[2-(bromomethyl)-4-ethoxybutyl]-3-methylbenzene
CID 66041509
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671
5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 66058434
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451
N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195920
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(2-methoxyphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 62515411
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine (CID 62514359) is 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine is CCOCCC(CNC)Cc1cccc(C)c1.
What is the InChIKey of 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The InChIKey is IHPNCXYXBWGBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-17-9-8-15(12-16-3)11-14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine?
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62514359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).