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

C22H21NO — CID 91304465

IUPACN-methoxy-3,3,3-triphenylprop-1-en-2-amine
SMILESC=C(NOC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-18(23-24-2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,23H,1H2,2H3
InChIKeyWZULNWSYNLKWQW-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.69
Rot. Bonds6

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

N-methoxy-3,3,3-triphenylprop-1-en-2-amine (PubChem CID 91304465) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methoxy-3,3,3-triphenylprop-1-en-2-amine.

Molecular Properties

Compound NameN-methoxy-3,3,3-triphenylprop-1-en-2-amine
PubChem CID91304465
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-methoxy-3,3,3-triphenylprop-1-en-2-amine
SMILESC=C(NOC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-18(23-24-2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,23H,1H2,2H3
InChIKeyWZULNWSYNLKWQW-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.69
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'}

Analyze N-methoxy-3,3,3-triphenylprop-1-en-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

Triphenylmethylhydroxylamine
CID 11311898
3-(3,4-Difluorophenyl)-3,3-diphenylprop-1-en-2-amine
CID 68384389
(4E,5Z)-4-ethylidene-7-fluoro-3-(4-fluorophenyl)-3-phenylhepta-1,5-dien-2-amine
CID 143497252
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
(Z)-2,2,4-triphenylhex-4-en-1-amine
CID 135076204
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
2-Methyl-1,1,2-triphenylpropan-1-amine
CID 54157430

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3,3,3-triphenylprop-1-en-2-amine?
The IUPAC name of N-methoxy-3,3,3-triphenylprop-1-en-2-amine (CID 91304465) is N-methoxy-3,3,3-triphenylprop-1-en-2-amine.
What is the SMILES notation for N-methoxy-3,3,3-triphenylprop-1-en-2-amine?
The canonical SMILES for N-methoxy-3,3,3-triphenylprop-1-en-2-amine is C=C(NOC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methoxy-3,3,3-triphenylprop-1-en-2-amine?
The InChIKey is WZULNWSYNLKWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-18(23-24-2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,23H,1H2,2H3.
What are the key properties of N-methoxy-3,3,3-triphenylprop-1-en-2-amine?
N-methoxy-3,3,3-triphenylprop-1-en-2-amine has a molecular weight of 315.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,3,3-triphenylprop-1-en-2-amine is sourced from PubChem (CID 91304465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).