1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine

C13H21ClN2O — CID 116949835

IUPAC1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H21ClN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyKNPPASJSYAIWGV-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.74
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine

1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 116949835) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID116949835
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H21ClN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3
InChIKeyKNPPASJSYAIWGV-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965
1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine (CID 116949835) is 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine is CNC(CCC(C)N)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is KNPPASJSYAIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(15)4-6-12(16-2)11-8-10(14)5-7-13(11)17-3/h5,7-9,12,16H,4,6,15H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine?
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.74, 6 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)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 116949835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).