2-chloro-6-(pyrrolidin-2-ylmethyl)aniline

C11H15ClN2 — CID 105464674

IUPAC2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1c(Cl)cccc1CC1CCCN1
InChIInChI=1S/C11H15ClN2/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7,13H2
InChIKeyGWPCUYLBWBEMBV-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline

2-chloro-6-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 105464674) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
PubChem CID105464674
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1c(Cl)cccc1CC1CCCN1
InChIInChI=1S/C11H15ClN2/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7,13H2
InChIKeyGWPCUYLBWBEMBV-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.22
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

2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
CID 117411537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline (CID 105464674) is 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline is Nc1c(Cl)cccc1CC1CCCN1.
What is the InChIKey of 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is GWPCUYLBWBEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7,13H2.
What are the key properties of 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline?
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 210.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 105464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).