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

C12H16ClFN2 — CID 112651913

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(F)c2Cl)C1
InChIInChI=1S/C12H16ClFN2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3
InChIKeyAHPKJHZDTDWCGB-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.27
Rot. Bonds3

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

N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 112651913) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID112651913
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(F)c2Cl)C1
InChIInChI=1S/C12H16ClFN2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3
InChIKeyAHPKJHZDTDWCGB-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

N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 62975581
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 112654505
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine (CID 112651913) is N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCc2cccc(F)c2Cl)C1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is AHPKJHZDTDWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-16-6-5-10(8-16)15-7-9-3-2-4-11(14)12(9)13/h2-4,10,15H,5-8H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-1-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 N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 112651913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).