2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline

C12H17ClN2 — CID 104834721

IUPAC2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
SMILESCC1(C)CCN(c2cccc(Cl)c2N)C1
InChIInChI=1S/C12H17ClN2/c1-12(2)6-7-15(8-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyFYWTVCMQLAIOBP-UHFFFAOYSA-N
MW224.74 g/mol
LogP3.16
Rot. Bonds1

About 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline

2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline (PubChem CID 104834721) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
PubChem CID104834721
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
SMILESCC1(C)CCN(c2cccc(Cl)c2N)C1
InChIInChI=1S/C12H17ClN2/c1-12(2)6-7-15(8-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyFYWTVCMQLAIOBP-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 104716925
2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
CID 104834174
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515
2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
CID 113392692
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 115546247
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
CID 104834247
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 112674926
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
1-(2-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147397
2-chloro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)benzonitrile
CID 103356079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline (CID 104834721) is 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline is CC1(C)CCN(c2cccc(Cl)c2N)C1.
What is the InChIKey of 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline?
The InChIKey is FYWTVCMQLAIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(2)6-7-15(8-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline?
2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline has a molecular weight of 224.74 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 104834721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).