N-benzhydryl-3,4,5-trimethoxyaniline

C22H23NO3 — CID 2531134

IUPACN-benzhydryl-3,4,5-trimethoxyaniline
SMILESCOc1cc(NC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H23NO3/c1-24-19-14-18(15-20(25-2)22(19)26-3)23-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,21,23H,1-3H3
InChIKeyMCVZCGKSQNETKD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.91
Rot. Bonds7

About N-benzhydryl-3,4,5-trimethoxyaniline

N-benzhydryl-3,4,5-trimethoxyaniline (PubChem CID 2531134) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzhydryl-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-benzhydryl-3,4,5-trimethoxyaniline
PubChem CID2531134
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-benzhydryl-3,4,5-trimethoxyaniline
SMILESCOc1cc(NC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H23NO3/c1-24-19-14-18(15-20(25-2)22(19)26-3)23-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,21,23H,1-3H3
InChIKeyMCVZCGKSQNETKD-UHFFFAOYSA-N
XLogP4.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,4,5-trimethoxyaniline?
The IUPAC name of N-benzhydryl-3,4,5-trimethoxyaniline (CID 2531134) is N-benzhydryl-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-benzhydryl-3,4,5-trimethoxyaniline?
The canonical SMILES for N-benzhydryl-3,4,5-trimethoxyaniline is COc1cc(NC(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-benzhydryl-3,4,5-trimethoxyaniline?
The InChIKey is MCVZCGKSQNETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-24-19-14-18(15-20(25-2)22(19)26-3)23-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,21,23H,1-3H3.
What are the key properties of N-benzhydryl-3,4,5-trimethoxyaniline?
N-benzhydryl-3,4,5-trimethoxyaniline has a molecular weight of 349.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,4,5-trimethoxyaniline is sourced from PubChem (CID 2531134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).