N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine

C15H22N2O — CID 57043503

IUPACN-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine
SMILESCC=C(C=Cc1ccccc1)NOCCN(C)C
InChIInChI=1S/C15H22N2O/c1-4-15(16-18-13-12-17(2)3)11-10-14-8-6-5-7-9-14/h4-11,16H,12-13H2,1-3H3
InChIKeyLXAOHHCXCGVFPH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine

N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine (PubChem CID 57043503) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine
PubChem CID57043503
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine
SMILESCC=C(C=Cc1ccccc1)NOCCN(C)C
InChIInChI=1S/C15H22N2O/c1-4-15(16-18-13-12-17(2)3)11-10-14-8-6-5-7-9-14/h4-11,16H,12-13H2,1-3H3
InChIKeyLXAOHHCXCGVFPH-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-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-(benzylamino)oxy-N,N-diethylethanamine
CID 134994507
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
2-(benzylamino)oxy-N,N-dimethylethanamine
CID 17845633
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
6-benzylidene-N-butyl-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53813443
1-methoxy-6-(2-phenylethenyl)-2H-pyridine
CID 53877971
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499
7-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohepten-1-amine
CID 56619636
2-benzyl-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
CID 56620102
7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
CID 56632806
6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56635333

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine?
The IUPAC name of N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine (CID 57043503) is N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine?
The canonical SMILES for N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine is CC=C(C=Cc1ccccc1)NOCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine?
The InChIKey is LXAOHHCXCGVFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(16-18-13-12-17(2)3)11-10-14-8-6-5-7-9-14/h4-11,16H,12-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine?
N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine has a molecular weight of 246.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxy]-1-phenylpenta-1,3-dien-3-amine is sourced from PubChem (CID 57043503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).