N-ethoxy-3,3,3-triphenylprop-1-en-2-amine

C23H23NO — CID 90931753

IUPACN-ethoxy-3,3,3-triphenylprop-1-en-2-amine
SMILESC=C(NOCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-3-25-24-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24H,2-3H2,1H3
InChIKeyYAZXZDHKHJISQN-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.08
Rot. Bonds7

About N-ethoxy-3,3,3-triphenylprop-1-en-2-amine

N-ethoxy-3,3,3-triphenylprop-1-en-2-amine (PubChem CID 90931753) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-ethoxy-3,3,3-triphenylprop-1-en-2-amine.

Molecular Properties

Compound NameN-ethoxy-3,3,3-triphenylprop-1-en-2-amine
PubChem CID90931753
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-ethoxy-3,3,3-triphenylprop-1-en-2-amine
SMILESC=C(NOCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-3-25-24-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24H,2-3H2,1H3
InChIKeyYAZXZDHKHJISQN-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-Difluorophenyl)-3,3-diphenylprop-1-en-2-amine
CID 68384389
3,3,3-Tris(4-fluorophenyl)prop-1-en-2-amine
CID 143497256
3-(2-Fluorophenyl)-3,3-bis(4-fluorophenyl)prop-1-en-2-amine
CID 143497259
3,3-Bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine
CID 143497249
[(Methoxyamino)(diphenyl)methyl]benzene
CID 3384746
1,1,1-triphenyl-N-prop-2-enoxymethanamine
CID 4408428
2-Methyl-4,4-diphenylpent-2-en-3-amine
CID 20035183
3,4,5-triphenyl-2H-oxazine
CID 54008469
3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine
CID 57215443
3-trityl-2H-oxazine
CID 70579892
N-methoxy-2,2,3-triphenylcyclopropan-1-amine
CID 87103690

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,3,3-triphenylprop-1-en-2-amine?
The IUPAC name of N-ethoxy-3,3,3-triphenylprop-1-en-2-amine (CID 90931753) is N-ethoxy-3,3,3-triphenylprop-1-en-2-amine.
What is the SMILES notation for N-ethoxy-3,3,3-triphenylprop-1-en-2-amine?
The canonical SMILES for N-ethoxy-3,3,3-triphenylprop-1-en-2-amine is C=C(NOCC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethoxy-3,3,3-triphenylprop-1-en-2-amine?
The InChIKey is YAZXZDHKHJISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-25-24-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24H,2-3H2,1H3.
What are the key properties of N-ethoxy-3,3,3-triphenylprop-1-en-2-amine?
N-ethoxy-3,3,3-triphenylprop-1-en-2-amine has a molecular weight of 329.44 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,3,3-triphenylprop-1-en-2-amine is sourced from PubChem (CID 90931753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).