4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine

C16H27NO — CID 79421267

IUPAC4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-4-11-17-13-15(10-12-18-5-2)16-9-7-6-8-14(16)3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyZKJATOJLYZSSSA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.50
Rot. Bonds9

About 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine

4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine (PubChem CID 79421267) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
PubChem CID79421267
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-4-11-17-13-15(10-12-18-5-2)16-9-7-6-8-14(16)3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyZKJATOJLYZSSSA-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.50
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-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine (CID 79421267) is 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine is CCCNCC(CCOCC)c1ccccc1C.
What is the InChIKey of 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is ZKJATOJLYZSSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-11-17-13-15(10-12-18-5-2)16-9-7-6-8-14(16)3/h6-9,15,17H,4-5,10-13H2,1-3H3.
What are the key properties of 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79421267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).