2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C13H19Cl2N3 — CID 79016629

IUPAC2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-12-4-2-3-11(14)13(12)15/h2-4,16H,5-10H2,1H3
InChIKeyOFQFVVZHOYYEKY-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.65
Rot. Bonds4

About 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 79016629) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID79016629
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-12-4-2-3-11(14)13(12)15/h2-4,16H,5-10H2,1H3
InChIKeyOFQFVVZHOYYEKY-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 110864352
2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
CID 54806092
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
4-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889283
4-chloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107634893
1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
CID 82897843
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 79016629) is 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is CN1CCN(CCNc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is OFQFVVZHOYYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-12-4-2-3-11(14)13(12)15/h2-4,16H,5-10H2,1H3.
What are the key properties of 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 288.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 79016629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).