1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine

C11H17ClN2O — CID 116948362

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H17ClN2O/c1-14-10(5-6-13)9-7-8(12)3-4-11(9)15-2/h3-4,7,10,14H,5-6,13H2,1-2H3
InChIKeyZTBVGTMOCHQPFL-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.96
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine

1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine (PubChem CID 116948362) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
PubChem CID116948362
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H17ClN2O/c1-14-10(5-6-13)9-7-8(12)3-4-11(9)15-2/h3-4,7,10,14H,5-6,13H2,1-2H3
InChIKeyZTBVGTMOCHQPFL-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine (CID 116948362) is 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine is CNC(CCN)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine?
The InChIKey is ZTBVGTMOCHQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14-10(5-6-13)9-7-8(12)3-4-11(9)15-2/h3-4,7,10,14H,5-6,13H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine?
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine has a molecular weight of 228.72 g/mol, XLogP of 1.96, 5 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-methylpropane-1,3-diamine is sourced from PubChem (CID 116948362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).