[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

C15H22F2N2O — CID 63076607

IUPAC[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)NCc1cc(F)c(N2CCCC2CO)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(2)18-8-11-6-13(16)15(14(17)7-11)19-5-3-4-12(19)9-20/h6-7,10,12,18,20H,3-5,8-9H2,1-2H3
InChIKeyFUWABHFSEDBAFW-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.42
Rot. Bonds5

About [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (PubChem CID 63076607) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
PubChem CID63076607
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)NCc1cc(F)c(N2CCCC2CO)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(2)18-8-11-6-13(16)15(14(17)7-11)19-5-3-4-12(19)9-20/h6-7,10,12,18,20H,3-5,8-9H2,1-2H3
InChIKeyFUWABHFSEDBAFW-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 63076088
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
N-[[4-(2-ethylpyrrolidin-1-yl)-3,5-difluorophenyl]methyl]propan-1-amine
CID 63076783
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (CID 63076607) is [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is CC(C)NCc1cc(F)c(N2CCCC2CO)c(F)c1.
What is the InChIKey of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is FUWABHFSEDBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(2)18-8-11-6-13(16)15(14(17)7-11)19-5-3-4-12(19)9-20/h6-7,10,12,18,20H,3-5,8-9H2,1-2H3.
What are the key properties of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 284.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63076607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).