1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine

C12H15Cl2N — CID 23566973

IUPAC1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-9-3-2-4-15(9)8-10-5-11(13)7-12(14)6-10/h5-7,9H,2-4,8H2,1H3
InChIKeyIOZOXYRQTQDBOQ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.98
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine

1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 23566973) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
PubChem CID23566973
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-9-3-2-4-15(9)8-10-5-11(13)7-12(14)6-10/h5-7,9H,2-4,8H2,1H3
InChIKeyIOZOXYRQTQDBOQ-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-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
1-[(3-chloro-5-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036514
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2,6-ditert-butyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 7444975
(2R)-2-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
CID 99773652
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346400

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine (CID 23566973) is 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine is CC1CCCN1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is IOZOXYRQTQDBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-9-3-2-4-15(9)8-10-5-11(13)7-12(14)6-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine?
1-[(3,5-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-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 23566973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).