1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine

C12H16F2N2 — CID 115300011

IUPAC1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3
InChIKeyXWZZBCVXFLOYKK-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.76
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115300011) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115300011
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3
InChIKeyXWZZBCVXFLOYKK-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.76
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-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 115299972

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine (CID 115300011) is 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is XWZZBCVXFLOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).