4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline

C11H15ClN2O — CID 46942138

IUPAC4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
SMILESCN1CC[C@@H](Oc2cc(N)ccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-9(7-14)15-11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1
InChIKeySXOQPNTZRMVGBT-SECBINFHSA-N
MW226.71 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline

4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline (PubChem CID 46942138) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline.

Molecular Properties

Compound Name4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
PubChem CID46942138
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
SMILESCN1CC[C@@H](Oc2cc(N)ccc2Cl)C1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-9(7-14)15-11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1
InChIKeySXOQPNTZRMVGBT-SECBINFHSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline 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

3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
CID 171834819
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
CID 177191064
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
3-chloro-4-[1-(4-chloro-3-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 137455260
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
3-chloro-4-[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 142522055
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
4-chloro-N-(3,4-dimethoxyphenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxyaniline
CID 142184501
N-[4-chloro-3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 10224097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline?
The IUPAC name of 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline (CID 46942138) is 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline.
What is the SMILES notation for 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline?
The canonical SMILES for 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline is CN1CC[C@@H](Oc2cc(N)ccc2Cl)C1.
What is the InChIKey of 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline?
The InChIKey is SXOQPNTZRMVGBT-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-5-4-9(7-14)15-11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline?
4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline has a molecular weight of 226.71 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline is sourced from PubChem (CID 46942138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).