3-chloro-N-methyl-4-pyrrolidin-1-ylaniline

C11H15ClN2 — CID 91677052

IUPAC3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCNc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeySDSOOFPQFHOQCT-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline

3-chloro-N-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 91677052) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
PubChem CID91677052
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCNc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeySDSOOFPQFHOQCT-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide
CID 168654015
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
1-chloro-3-(3-chloro-4-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637936
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
2-[(3-chloro-4-piperidin-1-ylanilino)methylidene]propanedinitrile
CID 168544054
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57178259
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline (CID 91677052) is 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline is CNc1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is SDSOOFPQFHOQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline?
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 91677052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).