2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

C16H25Cl2N3 — CID 62778142

IUPAC2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCC(C)CN1CCN(C(CN)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H25Cl2N3/c1-12(2)11-20-6-8-21(9-7-20)15(10-19)13-4-3-5-14(17)16(13)18/h3-5,12,15H,6-11,19H2,1-2H3
InChIKeyDVIXOOKGRRITBC-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.27
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine

2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (PubChem CID 62778142) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
PubChem CID62778142
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
SMILESCC(C)CN1CCN(C(CN)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H25Cl2N3/c1-12(2)11-20-6-8-21(9-7-20)15(10-19)13-4-3-5-14(17)16(13)18/h3-5,12,15H,6-11,19H2,1-2H3
InChIKeyDVIXOOKGRRITBC-UHFFFAOYSA-N
XLogP3.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971708
2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(2,3-dichlorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63610122
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 63149837
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-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine (CID 62778142) is 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is CC(C)CN1CCN(C(CN)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
The InChIKey is DVIXOOKGRRITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3/c1-12(2)11-20-6-8-21(9-7-20)15(10-19)13-4-3-5-14(17)16(13)18/h3-5,12,15H,6-11,19H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine?
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine has a molecular weight of 330.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62778142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).