[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine

C14H22ClN3 — CID 63605516

IUPAC[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCCC1CN(c2cccc(Cl)c2CN)CCN1C
InChIInChI=1S/C14H22ClN3/c1-3-11-10-18(8-7-17(11)2)14-6-4-5-13(15)12(14)9-16/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyXJBOLQLRJCIHQZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.33
Rot. Bonds3

About [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine

[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 63605516) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID63605516
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCCC1CN(c2cccc(Cl)c2CN)CCN1C
InChIInChI=1S/C14H22ClN3/c1-3-11-10-18(8-7-17(11)2)14-6-4-5-13(15)12(14)9-16/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyXJBOLQLRJCIHQZ-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine (CID 63605516) is [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine is CCC1CN(c2cccc(Cl)c2CN)CCN1C.
What is the InChIKey of [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is XJBOLQLRJCIHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-11-10-18(8-7-17(11)2)14-6-4-5-13(15)12(14)9-16/h4-6,11H,3,7-10,16H2,1-2H3.
What are the key properties of [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine?
[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).