N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine

C12H16F2N2 — CID 107424600

IUPACN-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cc(F)cc(F)c2)CCNC1
InChIInChI=1S/C12H16F2N2/c1-12(2-3-15-8-12)16-7-9-4-10(13)6-11(14)5-9/h4-6,15-16H,2-3,7-8H2,1H3
InChIKeyGEORPBJLKAZRGQ-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.81
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine

N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107424600) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107424600
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cc(F)cc(F)c2)CCNC1
InChIInChI=1S/C12H16F2N2/c1-12(2-3-15-8-12)16-7-9-4-10(13)6-11(14)5-9/h4-6,15-16H,2-3,7-8H2,1H3
InChIKeyGEORPBJLKAZRGQ-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424714
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424188
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107423728
N-[(5-chloropyrazin-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424751

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine (CID 107424600) is N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine is CC1(NCc2cc(F)cc(F)c2)CCNC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is GEORPBJLKAZRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-12(2-3-15-8-12)16-7-9-4-10(13)6-11(14)5-9/h4-6,15-16H,2-3,7-8H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).