1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine

C16H26ClN3 — CID 63167572

IUPAC1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNc2ccccc2Cl)C1
InChIInChI=1S/C16H26ClN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyQWDFRJGHXNLUJW-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.17
Rot. Bonds7

About 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63167572) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63167572
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNc2ccccc2Cl)C1
InChIInChI=1S/C16H26ClN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyQWDFRJGHXNLUJW-UHFFFAOYSA-N
XLogP3.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
CID 63167614
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692395
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 63167488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 63167572) is 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CCNc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is QWDFRJGHXNLUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 295.86 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63167572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).