5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline

C11H15ClN2O — CID 66519127

IUPAC5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
SMILESCOc1cc([C@@H]2CCCN2)c(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-15-11-5-7(8(12)6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4,13H2,1H3/t10-/m0/s1
InChIKeyAOMFUDKSIPYVLX-JTQLQIEISA-N
MW226.71 g/mol
LogP2.36
Rot. Bonds2

About 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline

5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline (PubChem CID 66519127) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
PubChem CID66519127
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
SMILESCOc1cc([C@@H]2CCCN2)c(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-15-11-5-7(8(12)6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4,13H2,1H3/t10-/m0/s1
InChIKeyAOMFUDKSIPYVLX-JTQLQIEISA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
2-methoxy-5-piperidin-2-ylaniline
CID 117116326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline?
The IUPAC name of 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline (CID 66519127) is 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline is COc1cc([C@@H]2CCCN2)c(Cl)cc1N.
What is the InChIKey of 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline?
The InChIKey is AOMFUDKSIPYVLX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-5-7(8(12)6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4,13H2,1H3/t10-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline?
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline has a molecular weight of 226.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline is sourced from PubChem (CID 66519127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).