N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine

C12H16F2N2 — CID 63297959

IUPACN-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H16F2N2/c1-16(11-4-5-15-7-11)8-9-2-3-10(13)6-12(9)14/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyLNCPJLGYUIOYBV-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.76
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63297959) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID63297959
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H16F2N2/c1-16(11-4-5-15-7-11)8-9-2-3-10(13)6-12(9)14/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyLNCPJLGYUIOYBV-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

N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-[(2,4-difluorophenyl)methyl]-2-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]propan-1-amine
CID 11536482
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
CID 102616994
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine (CID 63297959) is N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine is CN(Cc1ccc(F)cc1F)C1CCNC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is LNCPJLGYUIOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-16(11-4-5-15-7-11)8-9-2-3-10(13)6-12(9)14/h2-3,6,11,15H,4-5,7-8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(2,4-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 N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63297959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).