5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline

C15H18N2O2 — CID 796517

IUPAC5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cc2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C15H18N2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7,16-17H2,1-2H3
InChIKeyHMGRDTCGQMPVNJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline

5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 796517) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline
PubChem CID796517
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cc2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C15H18N2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7,16-17H2,1-2H3
InChIKeyHMGRDTCGQMPVNJ-UHFFFAOYSA-N
XLogP2.46
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bifenazate
CID 176879
Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
o-Dianisidine dihydrochloride
CID 62311
2-(o-Tolyloxy)aniline
CID 19692
2-Benzyloxyaniline
CID 240548
3,7-Diamino-2-methoxyfluorene
CID 276255
2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
CID 2392234
1-Methylethyl 2-(4-methoxy(1,1'-biphenyl)-3-yl)diazenecarboxylate
CID 69250380
3-(Phenoxymethyl)aniline
CID 427435
2-(4-Methoxyphenylazo)-4-methylphenol
CID 139887
4-Amino-4'-methoxystilbene
CID 5376491

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline (CID 796517) is 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline is COc1ccc(Cc2ccc(OC)c(N)c2)cc1N.
What is the InChIKey of 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is HMGRDTCGQMPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7,16-17H2,1-2H3.
What are the key properties of 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline?
5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 796517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).