4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline

C16H20N2O3 — CID 22753068

IUPAC4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
SMILESCOc1cc(Cc2cc(OC)c(N)c(OC)c2)ccc1N
InChIInChI=1S/C16H20N2O3/c1-19-13-7-10(4-5-12(13)17)6-11-8-14(20-2)16(18)15(9-11)21-3/h4-5,7-9H,6,17-18H2,1-3H3
InChIKeyDKNJUXGEQQOPFM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds5

About 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline

4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline (PubChem CID 22753068) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline.

Molecular Properties

Compound Name4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
PubChem CID22753068
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
SMILESCOc1cc(Cc2cc(OC)c(N)c(OC)c2)ccc1N
InChIInChI=1S/C16H20N2O3/c1-19-13-7-10(4-5-12(13)17)6-11-8-14(20-2)16(18)15(9-11)21-3/h4-5,7-9H,6,17-18H2,1-3H3
InChIKeyDKNJUXGEQQOPFM-UHFFFAOYSA-N
XLogP2.47
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
4-hexyl-2-methoxyaniline
CID 70551686
CID 90251753
CID 90251753
(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
CID 67480322
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[[4-(4-aminophenoxy)-3-methoxyphenyl]methyl]-2-methoxyphenoxy]aniline
CID 18926100
CID 123653070
CID 123653070

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline?
The IUPAC name of 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline (CID 22753068) is 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline.
What is the SMILES notation for 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline?
The canonical SMILES for 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline is COc1cc(Cc2cc(OC)c(N)c(OC)c2)ccc1N.
What is the InChIKey of 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline?
The InChIKey is DKNJUXGEQQOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-13-7-10(4-5-12(13)17)6-11-8-14(20-2)16(18)15(9-11)21-3/h4-5,7-9H,6,17-18H2,1-3H3.
What are the key properties of 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline?
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline has a molecular weight of 288.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline is sourced from PubChem (CID 22753068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).