N-[(2-aminophenyl)methyl]-2,5-dimethylaniline

C15H18N2 — CID 66387234

IUPACN-[(2-aminophenyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccccc2N)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16/h3-9,17H,10,16H2,1-2H3
InChIKeyUXTLZRHSAXTACL-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.50
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,5-dimethylaniline

N-[(2-aminophenyl)methyl]-2,5-dimethylaniline (PubChem CID 66387234) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,5-dimethylaniline
PubChem CID66387234
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(2-aminophenyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccccc2N)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16/h3-9,17H,10,16H2,1-2H3
InChIKeyUXTLZRHSAXTACL-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
CID 66417871
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 54797123
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
N-[(2-aminophenyl)methyl]-5-chloro-2-methyl-4-nitroaniline
CID 104667854

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,5-dimethylaniline (CID 66387234) is N-[(2-aminophenyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2ccccc2N)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,5-dimethylaniline?
The InChIKey is UXTLZRHSAXTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,5-dimethylaniline?
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 66387234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).