2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline

C12H17ClN2 — CID 62573332

IUPAC2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccccc1NCCN1CCCC1
InChIInChI=1S/C12H17ClN2/c13-11-5-1-2-6-12(11)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2
InChIKeyQHRZURSJSWARFK-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline

2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 62573332) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID62573332
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccccc1NCCN1CCCC1
InChIInChI=1S/C12H17ClN2/c13-11-5-1-2-6-12(11)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2
InChIKeyQHRZURSJSWARFK-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
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CID 55090288
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
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-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline (CID 62573332) is 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline is Clc1ccccc1NCCN1CCCC1.
What is the InChIKey of 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is QHRZURSJSWARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-5-1-2-6-12(11)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2.
What are the key properties of 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 224.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 62573332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).