N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline

C22H23NO3 — CID 784392

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23NO3/c1-24-20-12-10-18(17-7-5-4-6-8-17)14-19(20)23-15-16-9-11-21(25-2)22(13-16)26-3/h4-14,23H,15H2,1-3H3
InChIKeyLYYSLSFJEMCHDP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.99
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline

N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline (PubChem CID 784392) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline
PubChem CID784392
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23NO3/c1-24-20-12-10-18(17-7-5-4-6-8-17)14-19(20)23-15-16-9-11-21(25-2)22(13-16)26-3/h4-14,23H,15H2,1-3H3
InChIKeyLYYSLSFJEMCHDP-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline (CID 784392) is N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline is COc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline?
The InChIKey is LYYSLSFJEMCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-24-20-12-10-18(17-7-5-4-6-8-17)14-19(20)23-15-16-9-11-21(25-2)22(13-16)26-3/h4-14,23H,15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline?
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline has a molecular weight of 349.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-phenylaniline is sourced from PubChem (CID 784392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).