1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine

C12H16ClFN2 — CID 112652863

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C12H16ClFN2/c1-15-10-5-6-16(8-10)7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3
InChIKeyOFHQCVWXXKTODM-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.27
Rot. Bonds3

About 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 112652863) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID112652863
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C12H16ClFN2/c1-15-10-5-6-16(8-10)7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3
InChIKeyOFHQCVWXXKTODM-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
N-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 115983027
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 112652864
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
1-[(2-chloro-3-fluorophenyl)methyl]piperidine-3-carbothioamide
CID 112652292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine (CID 112652863) is 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is OFHQCVWXXKTODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-15-10-5-6-16(8-10)7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 112652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).