3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline

C28H28N2O — CID 70601363

IUPAC3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
SMILESCc1c(N)cccc1-c1ccccc1COCc1ccccc1-c1cccc(N)c1C
InChIInChI=1S/C28H28N2O/c1-19-23(13-7-15-27(19)29)25-11-5-3-9-21(25)17-31-18-22-10-4-6-12-26(22)24-14-8-16-28(30)20(24)2/h3-16H,17-18,29-30H2,1-2H3
InChIKeyDDKMEYHIZOGILT-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.52
Rot. Bonds6

About 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline

3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline (PubChem CID 70601363) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline.

Molecular Properties

Compound Name3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
PubChem CID70601363
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
SMILESCc1c(N)cccc1-c1ccccc1COCc1ccccc1-c1cccc(N)c1C
InChIInChI=1S/C28H28N2O/c1-19-23(13-7-15-27(19)29)25-11-5-3-9-21(25)17-31-18-22-10-4-6-12-26(22)24-14-8-16-28(30)20(24)2/h3-16H,17-18,29-30H2,1-2H3
InChIKeyDDKMEYHIZOGILT-UHFFFAOYSA-N
XLogP6.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline 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

3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide
CID 70601262
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
3-(methoxymethyl)-2-methylaniline
CID 14801184
2-methyl-3-phenylaniline
CID 10511683
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
1-[2-[[2-(2,4-dimethyl-3-nitrophenyl)phenyl]methoxymethyl]phenyl]-2,4-dimethyl-3-nitrobenzene
CID 88792480
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
3-ethyl-2-methylaniline
CID 19879636
2-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43509396

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline?
The IUPAC name of 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline (CID 70601363) is 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline.
What is the SMILES notation for 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline?
The canonical SMILES for 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline is Cc1c(N)cccc1-c1ccccc1COCc1ccccc1-c1cccc(N)c1C.
What is the InChIKey of 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline?
The InChIKey is DDKMEYHIZOGILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-19-23(13-7-15-27(19)29)25-11-5-3-9-21(25)17-31-18-22-10-4-6-12-26(22)24-14-8-16-28(30)20(24)2/h3-16H,17-18,29-30H2,1-2H3.
What are the key properties of 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline?
3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline has a molecular weight of 408.55 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline is sourced from PubChem (CID 70601363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).