N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline

C15H18N2O2 — CID 66385425

IUPACN-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccccc2N)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-12-7-8-14(15(9-12)19-2)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10,16H2,1-2H3
InChIKeyZZRDHCXKKRWEEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline

N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline (PubChem CID 66385425) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
PubChem CID66385425
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccccc2N)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-12-7-8-14(15(9-12)19-2)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10,16H2,1-2H3
InChIKeyZZRDHCXKKRWEEW-UHFFFAOYSA-N
XLogP2.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline (CID 66385425) is N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline is COc1ccc(NCc2ccccc2N)c(OC)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline?
The InChIKey is ZZRDHCXKKRWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-12-7-8-14(15(9-12)19-2)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline?
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline has a molecular weight of 258.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 66385425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).