2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C15H23Cl2N3 — CID 43585100

IUPAC2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-11(2)19-6-8-20(9-7-19)14(10-18)15-12(16)4-3-5-13(15)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyYPCRDQQRUVQUJP-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 43585100) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID43585100
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-11(2)19-6-8-20(9-7-19)14(10-18)15-12(16)4-3-5-13(15)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyYPCRDQQRUVQUJP-UHFFFAOYSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 43585100) is 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(C(CN)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is YPCRDQQRUVQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-11(2)19-6-8-20(9-7-19)14(10-18)15-12(16)4-3-5-13(15)17/h3-5,11,14H,6-10,18H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 316.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43585100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).