5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

C19H33NO — CID 105121210

IUPAC5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCCCNC(CCCOCC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H33NO/c1-6-10-20-18(9-8-11-21-7-2)14-19-16(4)12-15(3)13-17(19)5/h12-13,18,20H,6-11,14H2,1-5H3
InChIKeyXSSYIUOGXWNJBG-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.34
Rot. Bonds10

About 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (PubChem CID 105121210) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
PubChem CID105121210
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCCCNC(CCCOCC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H33NO/c1-6-10-20-18(9-8-11-21-7-2)14-19-16(4)12-15(3)13-17(19)5/h12-13,18,20H,6-11,14H2,1-5H3
InChIKeyXSSYIUOGXWNJBG-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.34
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

5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105162468
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The IUPAC name of 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (CID 105121210) is 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.
What is the SMILES notation for 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The canonical SMILES for 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is CCCNC(CCCOCC)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The InChIKey is XSSYIUOGXWNJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-10-20-18(9-8-11-21-7-2)14-19-16(4)12-15(3)13-17(19)5/h12-13,18,20H,6-11,14H2,1-5H3.
What are the key properties of 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is sourced from PubChem (CID 105121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).