N-[(4-methoxyphenyl)-diphenylmethyl]aniline

C26H23NO — CID 70688980

IUPACN-[(4-methoxyphenyl)-diphenylmethyl]aniline
SMILESCOc1ccc(C(Nc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23NO/c1-28-25-19-17-23(18-20-25)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27-24-15-9-4-10-16-24/h2-20,27H,1H3
InChIKeyTYIAYYYRYRRVQX-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.10
Rot. Bonds6

About N-[(4-methoxyphenyl)-diphenylmethyl]aniline

N-[(4-methoxyphenyl)-diphenylmethyl]aniline (PubChem CID 70688980) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-diphenylmethyl]aniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-diphenylmethyl]aniline
PubChem CID70688980
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC NameN-[(4-methoxyphenyl)-diphenylmethyl]aniline
SMILESCOc1ccc(C(Nc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23NO/c1-28-25-19-17-23(18-20-25)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27-24-15-9-4-10-16-24/h2-20,27H,1H3
InChIKeyTYIAYYYRYRRVQX-UHFFFAOYSA-N
XLogP6.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-diphenylmethyl]aniline?
The IUPAC name of N-[(4-methoxyphenyl)-diphenylmethyl]aniline (CID 70688980) is N-[(4-methoxyphenyl)-diphenylmethyl]aniline.
What is the SMILES notation for N-[(4-methoxyphenyl)-diphenylmethyl]aniline?
The canonical SMILES for N-[(4-methoxyphenyl)-diphenylmethyl]aniline is COc1ccc(C(Nc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-diphenylmethyl]aniline?
The InChIKey is TYIAYYYRYRRVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-28-25-19-17-23(18-20-25)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27-24-15-9-4-10-16-24/h2-20,27H,1H3.
What are the key properties of N-[(4-methoxyphenyl)-diphenylmethyl]aniline?
N-[(4-methoxyphenyl)-diphenylmethyl]aniline has a molecular weight of 365.48 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-diphenylmethyl]aniline is sourced from PubChem (CID 70688980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).