N-methoxy-2,2,3-triphenylcyclopropan-1-amine

C22H21NO — CID 87103690

IUPACN-methoxy-2,2,3-triphenylcyclopropan-1-amine
SMILESCONC1C(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-23-21-20(17-11-5-2-6-12-17)22(21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20-21,23H,1H3
InChIKeyAWNRDOSVOYUAPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.29
Rot. Bonds5

About N-methoxy-2,2,3-triphenylcyclopropan-1-amine

N-methoxy-2,2,3-triphenylcyclopropan-1-amine (PubChem CID 87103690) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methoxy-2,2,3-triphenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-methoxy-2,2,3-triphenylcyclopropan-1-amine
PubChem CID87103690
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-methoxy-2,2,3-triphenylcyclopropan-1-amine
SMILESCONC1C(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-23-21-20(17-11-5-2-6-12-17)22(21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20-21,23H,1H3
InChIKeyAWNRDOSVOYUAPV-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methoxy-2,2,3-triphenylcyclopropan-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 N-methoxy-2,2,3-triphenylcyclopropan-1-amine?
The IUPAC name of N-methoxy-2,2,3-triphenylcyclopropan-1-amine (CID 87103690) is N-methoxy-2,2,3-triphenylcyclopropan-1-amine.
What is the SMILES notation for N-methoxy-2,2,3-triphenylcyclopropan-1-amine?
The canonical SMILES for N-methoxy-2,2,3-triphenylcyclopropan-1-amine is CONC1C(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methoxy-2,2,3-triphenylcyclopropan-1-amine?
The InChIKey is AWNRDOSVOYUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-24-23-21-20(17-11-5-2-6-12-17)22(21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20-21,23H,1H3.
What are the key properties of N-methoxy-2,2,3-triphenylcyclopropan-1-amine?
N-methoxy-2,2,3-triphenylcyclopropan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2,3-triphenylcyclopropan-1-amine is sourced from PubChem (CID 87103690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).