2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine

C15H25NO — CID 113361817

IUPAC2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
SMILESCCOCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-12-15(11-16-13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyCYNUZIRADFSAFN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds8

About 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine

2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine (PubChem CID 113361817) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
PubChem CID113361817
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
SMILESCCOCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-12-15(11-16-13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyCYNUZIRADFSAFN-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-3-ethoxy-N-propan-2-ylpropan-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

Related Compounds

2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
2-(ethoxymethyl)-4-phenylbutan-1-ol
CID 174416866
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine (CID 113361817) is 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine is CCOCC(CNC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is CYNUZIRADFSAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-17-12-15(11-16-13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3.
What are the key properties of 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine?
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 113361817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).