N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine

C12H16F2N2 — CID 81466113

IUPACN-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc(F)c2)CN1C
InChIInChI=1S/C12H16F2N2/c1-8-3-12(7-16(8)2)15-11-5-9(13)4-10(14)6-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyZUIWBAOVBRZTTF-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.47
Rot. Bonds2

About N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine

N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466113) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466113
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc(F)c2)CN1C
InChIInChI=1S/C12H16F2N2/c1-8-3-12(7-16(8)2)15-11-5-9(13)4-10(14)6-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyZUIWBAOVBRZTTF-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
CID 81465856
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892
N-[3-bromo-5-(trifluoromethyl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81468484
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466934
N-(1,5-dimethylpyrrolidin-3-yl)-1-methylpyrazol-4-amine
CID 81465823
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466120
1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
CID 81466036
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466113) is N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2cc(F)cc(F)c2)CN1C.
What is the InChIKey of N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is ZUIWBAOVBRZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-3-12(7-16(8)2)15-11-5-9(13)4-10(14)6-11/h4-6,8,12,15H,3,7H2,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).