3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine

C15H18N2O — CID 80726366

IUPAC3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-17(11-12-6-4-3-5-7-12)14-8-13(16)9-15(10-14)18-2/h3-10H,11,16H2,1-2H3
InChIKeyHVFSGEWYUSTXRY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.91
Rot. Bonds4

About 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine

3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine (PubChem CID 80726366) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
PubChem CID80726366
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-17(11-12-6-4-3-5-7-12)14-8-13(16)9-15(10-14)18-2/h3-10H,11,16H2,1-2H3
InChIKeyHVFSGEWYUSTXRY-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dibenzyl-5-methoxybenzene-1,3-diamine
CID 130162823
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
aniline;N-benzyl-N-methylaniline
CID 163577424
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
3-methoxy-5-phenylmethoxyaniline
CID 12658785
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
3-(3-amino-5-methoxy-N-methylanilino)propanenitrile
CID 80726034

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine (CID 80726366) is 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine is COc1cc(N)cc(N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine?
The InChIKey is HVFSGEWYUSTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(11-12-6-4-3-5-7-12)14-8-13(16)9-15(10-14)18-2/h3-10H,11,16H2,1-2H3.
What are the key properties of 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine?
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 80726366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).