1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine

C12H15Cl2N — CID 141023901

IUPAC1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N/c1-9-4-3-7-15(9)8-10-5-2-6-11(13)12(10)14/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyOARMOFJRBGLNIU-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.98
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine

1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 141023901) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
PubChem CID141023901
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N/c1-9-4-3-7-15(9)8-10-5-2-6-11(13)12(10)14/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyOARMOFJRBGLNIU-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 66634297
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
1-[(2,3-dichlorophenyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 107310541
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
CID 154747262
4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
CID 156723320
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine (CID 141023901) is 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine is CC1CCCN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is OARMOFJRBGLNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-9-4-3-7-15(9)8-10-5-2-6-11(13)12(10)14/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine?
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 244.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 141023901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).