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

C12H17ClN2 — CID 62573511

IUPAC4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCC2)cc1
InChIInChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2
InChIKeyMSSPOJWEETZVQH-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline

4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 62573511) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID62573511
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCC2)cc1
InChIInChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2
InChIKeyMSSPOJWEETZVQH-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

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CID 55163626
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
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4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
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3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline (CID 62573511) is 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline is Clc1ccc(NCCN2CCCC2)cc1.
What is the InChIKey of 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is MSSPOJWEETZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2.
What are the key properties of 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline?
4-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 4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 62573511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).