3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine

C19H33NO — CID 116721457

IUPAC3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCNC(Cc1ccc(C(C)C)cc1)C(OCC)C(C)C
InChIInChI=1S/C19H33NO/c1-7-20-18(19(15(5)6)21-8-2)13-16-9-11-17(12-10-16)14(3)4/h9-12,14-15,18-20H,7-8,13H2,1-6H3
InChIKeyHIDQFKVNAYMAEH-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.39
Rot. Bonds9

About 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine

3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine (PubChem CID 116721457) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
PubChem CID116721457
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCNC(Cc1ccc(C(C)C)cc1)C(OCC)C(C)C
InChIInChI=1S/C19H33NO/c1-7-20-18(19(15(5)6)21-8-2)13-16-9-11-17(12-10-16)14(3)4/h9-12,14-15,18-20H,7-8,13H2,1-6H3
InChIKeyHIDQFKVNAYMAEH-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-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-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64535614
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116721524
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
[1-cyclopropyl-1-ethoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105272958

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine (CID 116721457) is 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine is CCNC(Cc1ccc(C(C)C)cc1)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The InChIKey is HIDQFKVNAYMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-20-18(19(15(5)6)21-8-2)13-16-9-11-17(12-10-16)14(3)4/h9-12,14-15,18-20H,7-8,13H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine is sourced from PubChem (CID 116721457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).