diphenylmethanamine;N-phenylaniline

C25H24N2 — CID 162045655

IUPACdiphenylmethanamine;N-phenylaniline
SMILESNC(c1ccccc1)c1ccccc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H13N.C12H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H,14H2;1-10,13H
InChIKeyYXVUKGUHHYZJAS-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.16
Rot. Bonds4

About diphenylmethanamine;N-phenylaniline

diphenylmethanamine;N-phenylaniline (PubChem CID 162045655) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is diphenylmethanamine;N-phenylaniline.

Molecular Properties

Compound Namediphenylmethanamine;N-phenylaniline
PubChem CID162045655
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Namediphenylmethanamine;N-phenylaniline
SMILESNC(c1ccccc1)c1ccccc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H13N.C12H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H,14H2;1-10,13H
InChIKeyYXVUKGUHHYZJAS-UHFFFAOYSA-N
XLogP6.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;N-phenylaniline?
The IUPAC name of diphenylmethanamine;N-phenylaniline (CID 162045655) is diphenylmethanamine;N-phenylaniline.
What is the SMILES notation for diphenylmethanamine;N-phenylaniline?
The canonical SMILES for diphenylmethanamine;N-phenylaniline is NC(c1ccccc1)c1ccccc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of diphenylmethanamine;N-phenylaniline?
The InChIKey is YXVUKGUHHYZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C12H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H,14H2;1-10,13H.
What are the key properties of diphenylmethanamine;N-phenylaniline?
diphenylmethanamine;N-phenylaniline has a molecular weight of 352.48 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;N-phenylaniline is sourced from PubChem (CID 162045655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).