3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine

C19H33NO — CID 116760324

IUPAC3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)(CC)OCC
InChIInChI=1S/C19H33NO/c1-6-14-20-18(19(7-2,8-3)21-9-4)15-17-13-11-10-12-16(17)5/h10-13,18,20H,6-9,14-15H2,1-5H3
InChIKeyZHNCBEFZRQZHMD-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.50
Rot. Bonds10

About 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116760324) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID116760324
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)(CC)OCC
InChIInChI=1S/C19H33NO/c1-6-14-20-18(19(7-2,8-3)21-9-4)15-17-13-11-10-12-16(17)5/h10-13,18,20H,6-9,14-15H2,1-5H3
InChIKeyZHNCBEFZRQZHMD-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
CID 116759404

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine (CID 116760324) is 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccccc1C)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is ZHNCBEFZRQZHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-14-20-18(19(7-2,8-3)21-9-4)15-17-13-11-10-12-16(17)5/h10-13,18,20H,6-9,14-15H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116760324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).