N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline

C17H22N2O4 — CID 142222409

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
SMILESCOc1ccc(N)cc1CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-20-14-6-5-12(18)7-11(14)10-19-13-8-15(21-2)17(23-4)16(9-13)22-3/h5-9,19H,10,18H2,1-4H3
InChIKeyKLCJJPMVDRVPJR-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.92
Rot. Bonds7

About N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline

N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline (PubChem CID 142222409) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
PubChem CID142222409
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
SMILESCOc1ccc(N)cc1CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-20-14-6-5-12(18)7-11(14)10-19-13-8-15(21-2)17(23-4)16(9-13)22-3/h5-9,19H,10,18H2,1-4H3
InChIKeyKLCJJPMVDRVPJR-UHFFFAOYSA-N
XLogP2.92
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline 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

ethane;3,4,5-trimethoxy-N-[[2-methoxy-5-(methylamino)phenyl]methyl]aniline
CID 142222174
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2-[(3,4,5-trimethoxyanilino)methyl]benzonitrile
CID 43825981
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 70422933

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline (CID 142222409) is N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline is COc1ccc(N)cc1CNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline?
The InChIKey is KLCJJPMVDRVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-20-14-6-5-12(18)7-11(14)10-19-13-8-15(21-2)17(23-4)16(9-13)22-3/h5-9,19H,10,18H2,1-4H3.
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline?
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline has a molecular weight of 318.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline is sourced from PubChem (CID 142222409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).