N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline

C16H19NO3 — CID 11587152

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-8-5-13(6-9-14)17-11-12-4-7-15(19-2)10-16(12)20-3/h4-10,17H,11H2,1-3H3
InChIKeyIGKFLMOEJXGHOQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline (PubChem CID 11587152) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
PubChem CID11587152
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-8-5-13(6-9-14)17-11-12-4-7-15(19-2)10-16(12)20-3/h4-10,17H,11H2,1-3H3
InChIKeyIGKFLMOEJXGHOQ-UHFFFAOYSA-N
XLogP3.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
CID 133359877
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline (CID 11587152) is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
The InChIKey is IGKFLMOEJXGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-8-5-13(6-9-14)17-11-12-4-7-15(19-2)10-16(12)20-3/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline?
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline has a molecular weight of 273.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 11587152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).