[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine

C12H16F2N2 — CID 62069119

IUPAC[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2
InChIKeyNBVRDKHENVRQGE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.75
Rot. Bonds3

About [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62069119) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62069119
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C12H16F2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2
InChIKeyNBVRDKHENVRQGE-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 62069119) is [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is NBVRDKHENVRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2.
What are the key properties of [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 226.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62069119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).