2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline

C10H12Cl2N2 — CID 66519219

IUPAC2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
SMILESNc1c(Cl)cc(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H12Cl2N2/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3,13H2/t9-/m0/s1
InChIKeyVVPMBXLUVYDYTN-VIFPVBQESA-N
MW231.13 g/mol
LogP3.00
Rot. Bonds1

About 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline

2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline (PubChem CID 66519219) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
PubChem CID66519219
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
SMILESNc1c(Cl)cc(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H12Cl2N2/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3,13H2/t9-/m0/s1
InChIKeyVVPMBXLUVYDYTN-VIFPVBQESA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
CID 130713903
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196064
2-tert-butyl-4-chloro-6-pyrrolidin-2-ylphenol
CID 117387935

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline?
The IUPAC name of 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline (CID 66519219) is 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline.
What is the SMILES notation for 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline?
The canonical SMILES for 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline is Nc1c(Cl)cc(Cl)cc1[C@@H]1CCCN1.
What is the InChIKey of 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline?
The InChIKey is VVPMBXLUVYDYTN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3,13H2/t9-/m0/s1.
What are the key properties of 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline?
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline has a molecular weight of 231.13 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline is sourced from PubChem (CID 66519219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).