[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol

C12H15F2NO — CID 79478439

IUPAC[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2c(F)cccc2F)CC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-15-7-12(8-16)4-5-12/h1-3,15-16H,4-8H2
InChIKeyVPWNTLYVYGFSCW-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.83
Rot. Bonds5

About [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79478439) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79478439
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2c(F)cccc2F)CC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-15-7-12(8-16)4-5-12/h1-3,15-16H,4-8H2
InChIKeyVPWNTLYVYGFSCW-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
CID 115454133
[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 113313226
1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991997
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358870
[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol (CID 79478439) is [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2c(F)cccc2F)CC1.
What is the InChIKey of [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is VPWNTLYVYGFSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-15-7-12(8-16)4-5-12/h1-3,15-16H,4-8H2.
What are the key properties of [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 227.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79478439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).