2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C14H20Cl2N2 — CID 54882963

IUPAC2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-10-5-4-8-18(10)13(9-17)14-11(15)6-3-7-12(14)16/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3
InChIKeyQRKGYAROJNDDHM-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.87
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 54882963) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID54882963
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-10-5-4-8-18(10)13(9-17)14-11(15)6-3-7-12(14)16/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3
InChIKeyQRKGYAROJNDDHM-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
CID 83977835
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43612940
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 54882963) is 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCC1CCCN1C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is QRKGYAROJNDDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-10-5-4-8-18(10)13(9-17)14-11(15)6-3-7-12(14)16/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).