N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline

C28H28N2O — CID 20555519

IUPACN-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
SMILESCc1cccc(CNc2ccc(Oc3ccccc3NCc3cccc(C)c3)cc2)c1
InChIInChI=1S/C28H28N2O/c1-21-7-5-9-23(17-21)19-29-25-13-15-26(16-14-25)31-28-12-4-3-11-27(28)30-20-24-10-6-8-22(2)18-24/h3-18,29-30H,19-20H2,1-2H3
InChIKeyDTBKKTAKTYEVCU-UHFFFAOYSA-N
MW408.55 g/mol
LogP7.32
Rot. Bonds8

About N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline

N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline (PubChem CID 20555519) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
PubChem CID20555519
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC NameN-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
SMILESCc1cccc(CNc2ccc(Oc3ccccc3NCc3cccc(C)c3)cc2)c1
InChIInChI=1S/C28H28N2O/c1-21-7-5-9-23(17-21)19-29-25-13-15-26(16-14-25)31-28-12-4-3-11-27(28)30-20-24-10-6-8-22(2)18-24/h3-18,29-30H,19-20H2,1-2H3
InChIKeyDTBKKTAKTYEVCU-UHFFFAOYSA-N
XLogP7.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline
CID 20555514
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
CID 108984808
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
[3-[(3-methylphenyl)methylamino]phenyl] acetate
CID 82533297

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline (CID 20555519) is N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline is Cc1cccc(CNc2ccc(Oc3ccccc3NCc3cccc(C)c3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline?
The InChIKey is DTBKKTAKTYEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-21-7-5-9-23(17-21)19-29-25-13-15-26(16-14-25)31-28-12-4-3-11-27(28)30-20-24-10-6-8-22(2)18-24/h3-18,29-30H,19-20H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline?
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline has a molecular weight of 408.55 g/mol, XLogP of 7.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline is sourced from PubChem (CID 20555519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).