1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine

C12H16F2N2 — CID 103575586

IUPAC1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(F)c(F)c2)CC1N
InChIInChI=1S/C12H16F2N2/c1-8-5-16(7-12(8)15)6-9-2-3-10(13)11(14)4-9/h2-4,8,12H,5-7,15H2,1H3
InChIKeyYKNXWVGIQXPMRN-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.74
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575586) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103575586
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(F)c(F)c2)CC1N
InChIInChI=1S/C12H16F2N2/c1-8-5-16(7-12(8)15)6-9-2-3-10(13)11(14)4-9/h2-4,8,12H,5-7,15H2,1H3
InChIKeyYKNXWVGIQXPMRN-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
1-(1,3-benzodioxol-5-ylmethyl)-4-methylpyrrolidin-3-amine
CID 103575187
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one
CID 120909365
4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909731

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine (CID 103575586) is 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccc(F)c(F)c2)CC1N.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is YKNXWVGIQXPMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-5-16(7-12(8)15)6-9-2-3-10(13)11(14)4-9/h2-4,8,12H,5-7,15H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).