[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol

C12H16F2N2O — CID 63076262

IUPAC[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
SMILESNCc1cc(F)c(N2CCCC2CO)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-4-8(6-15)5-11(14)12(10)16-3-1-2-9(16)7-17/h4-5,9,17H,1-3,6-7,15H2
InChIKeyUTQQETUQBNHICT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.38
Rot. Bonds3

About [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol

[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol (PubChem CID 63076262) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
PubChem CID63076262
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
SMILESNCc1cc(F)c(N2CCCC2CO)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-4-8(6-15)5-11(14)12(10)16-3-1-2-9(16)7-17/h4-5,9,17H,1-3,6-7,15H2
InChIKeyUTQQETUQBNHICT-UHFFFAOYSA-N
XLogP1.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63076607
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 63076088
2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
CID 154695193
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
CID 66101661
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
CID 116634283
N-[[4-(2-ethylpyrrolidin-1-yl)-3,5-difluorophenyl]methyl]propan-1-amine
CID 63076783
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
[4-[4-(aminomethyl)-2,6-difluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204114
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol (CID 63076262) is [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol is NCc1cc(F)c(N2CCCC2CO)c(F)c1.
What is the InChIKey of [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol?
The InChIKey is UTQQETUQBNHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-4-8(6-15)5-11(14)12(10)16-3-1-2-9(16)7-17/h4-5,9,17H,1-3,6-7,15H2.
What are the key properties of [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol?
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol has a molecular weight of 242.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63076262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).