1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine

C10H15ClN2O — CID 116954303

IUPAC1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H15ClN2O/c1-12-10(13-2)8-6-7(11)4-5-9(8)14-3/h4-6,10,12-13H,1-3H3
InChIKeyAULFSOMWZCQVLN-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.79
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine

1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954303) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954303
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H15ClN2O/c1-12-10(13-2)8-6-7(11)4-5-9(8)14-3/h4-6,10,12-13H,1-3H3
InChIKeyAULFSOMWZCQVLN-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
1-(5-chloro-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005229
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine (CID 116954303) is 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine is CNC(NC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is AULFSOMWZCQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-12-10(13-2)8-6-7(11)4-5-9(8)14-3/h4-6,10,12-13H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine?
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 214.70 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).