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

C14H23NO — CID 79421089

IUPAC4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
SMILESCCOCCC(CNC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-16-10-9-13(11-15-3)14-8-6-5-7-12(14)2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeySRORNRKCEZSZCD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.72
Rot. Bonds7

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

4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine (PubChem CID 79421089) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
PubChem CID79421089
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
SMILESCCOCCC(CNC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-16-10-9-13(11-15-3)14-8-6-5-7-12(14)2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeySRORNRKCEZSZCD-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine (CID 79421089) is 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine is CCOCCC(CNC)c1ccccc1C.
What is the InChIKey of 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine?
The InChIKey is SRORNRKCEZSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-10-9-13(11-15-3)14-8-6-5-7-12(14)2/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine?
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.72, 7 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-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 79421089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).