2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine

C20H35N — CID 82926022

IUPAC2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
SMILESCCC(CC)CC(CC)(CNCC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-6-18(7-2)14-20(8-3,16-21-15-17(4)5)19-12-10-9-11-13-19/h9-13,17-18,21H,6-8,14-16H2,1-5H3
InChIKeyQXTYIPBRTJLGQH-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.41
Rot. Bonds10

About 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine

2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine (PubChem CID 82926022) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine.

Molecular Properties

Compound Name2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
PubChem CID82926022
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
SMILESCCC(CC)CC(CC)(CNCC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-6-18(7-2)14-20(8-3,16-21-15-17(4)5)19-12-10-9-11-13-19/h9-13,17-18,21H,6-8,14-16H2,1-5H3
InChIKeyQXTYIPBRTJLGQH-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The IUPAC name of 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine (CID 82926022) is 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine.
What is the SMILES notation for 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The canonical SMILES for 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine is CCC(CC)CC(CC)(CNCC(C)C)c1ccccc1.
What is the InChIKey of 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The InChIKey is QXTYIPBRTJLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-18(7-2)14-20(8-3,16-21-15-17(4)5)19-12-10-9-11-13-19/h9-13,17-18,21H,6-8,14-16H2,1-5H3.
What are the key properties of 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine is sourced from PubChem (CID 82926022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).