N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine

C12H16F2N2 — CID 115145682

IUPACN-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C12H16F2N2/c1-12(2)6-9(7-15-12)16-8-3-4-10(13)11(14)5-8/h3-5,9,15-16H,6-7H2,1-2H3
InChIKeyGKNLBBCIWAWOFN-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.52
Rot. Bonds2

About N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine

N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115145682) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID115145682
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(Nc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C12H16F2N2/c1-12(2)6-9(7-15-12)16-8-3-4-10(13)11(14)5-8/h3-5,9,15-16H,6-7H2,1-2H3
InChIKeyGKNLBBCIWAWOFN-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145681
N-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylpyrrolidin-3-amine
CID 115145666
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,5-dimethylpyrrolidin-3-amine
CID 115145670
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
N-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512824
N-(2-methoxy-4,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145678
N-(5,5-dimethylpyrrolidin-3-yl)pyridin-2-amine
CID 115145743
2,2-dimethyl-N-(6-methylnaphthalen-2-yl)piperidin-4-amine
CID 115145390
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
5,5-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115145890

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine (CID 115145682) is N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(Nc2ccc(F)c(F)c2)CN1.
What is the InChIKey of N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is GKNLBBCIWAWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-12(2)6-9(7-15-12)16-8-3-4-10(13)11(14)5-8/h3-5,9,15-16H,6-7H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine?
N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).