1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine

C26H25N3 — CID 59193671

IUPAC1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
SMILESc1ccc(CNc2ccccc2Nc2ccccc2NCc2ccccc2)cc1
InChIInChI=1S/C26H25N3/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-18,27-29H,19-20H2
InChIKeyLUQRLCGLVJCJTN-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.65
Rot. Bonds8

About 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine

1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine (PubChem CID 59193671) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
PubChem CID59193671
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
SMILESc1ccc(CNc2ccccc2Nc2ccccc2NCc2ccccc2)cc1
InChIInChI=1S/C26H25N3/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-18,27-29H,19-20H2
InChIKeyLUQRLCGLVJCJTN-UHFFFAOYSA-N
XLogP6.65
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine (CID 59193671) is 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine is c1ccc(CNc2ccccc2Nc2ccccc2NCc2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine?
The InChIKey is LUQRLCGLVJCJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-26-18-10-8-16-24(26)28-20-22-13-5-2-6-14-22/h1-18,27-29H,19-20H2.
What are the key properties of 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine?
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine has a molecular weight of 379.51 g/mol, XLogP of 6.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 59193671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).