N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline

C20H20N2 — CID 123674642

IUPACN-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
SMILESCNc1ccccc1-c1ccc(-c2ccccc2NC)cc1
InChIInChI=1S/C20H20N2/c1-21-19-9-5-3-7-17(19)15-11-13-16(14-12-15)18-8-4-6-10-20(18)22-2/h3-14,21-22H,1-2H3
InChIKeySBOXBROSVCWUPH-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.10
Rot. Bonds4

About N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline

N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline (PubChem CID 123674642) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
PubChem CID123674642
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
SMILESCNc1ccccc1-c1ccc(-c2ccccc2NC)cc1
InChIInChI=1S/C20H20N2/c1-21-19-9-5-3-7-17(19)15-11-13-16(14-12-15)18-8-4-6-10-20(18)22-2/h3-14,21-22H,1-2H3
InChIKeySBOXBROSVCWUPH-UHFFFAOYSA-N
XLogP5.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline?
The IUPAC name of N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline (CID 123674642) is N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline.
What is the SMILES notation for N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline?
The canonical SMILES for N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline is CNc1ccccc1-c1ccc(-c2ccccc2NC)cc1.
What is the InChIKey of N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline?
The InChIKey is SBOXBROSVCWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-21-19-9-5-3-7-17(19)15-11-13-16(14-12-15)18-8-4-6-10-20(18)22-2/h3-14,21-22H,1-2H3.
What are the key properties of N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline?
N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline is sourced from PubChem (CID 123674642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).