3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine

C15H18N2O2 — CID 63363029

IUPAC3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(N)c2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10,16H2,1-2H3
InChIKeyUFNNZUZJLUDPHT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds5

About 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine

3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine (PubChem CID 63363029) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
PubChem CID63363029
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(N)c2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10,16H2,1-2H3
InChIKeyUFNNZUZJLUDPHT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
(2,4-dimethoxyphenyl)methylurea
CID 53362457
5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
CID 22061523

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine (CID 63363029) is 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine is COc1ccc(CNc2cccc(N)c2)c(OC)c1.
What is the InChIKey of 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine?
The InChIKey is UFNNZUZJLUDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine?
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine 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 3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 63363029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).