2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19F2NO — CID 64926870

IUPAC2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c15-12-5-3-6-13(16)11(12)9-17-8-10-4-1-2-7-14(10)18/h3,5-6,10,14,17-18H,1-2,4,7-9H2
InChIKeyBQSACNUXBOWYOH-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64926870) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64926870
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c15-12-5-3-6-13(16)11(12)9-17-8-10-4-1-2-7-14(10)18/h3,5-6,10,14,17-18H,1-2,4,7-9H2
InChIKeyBQSACNUXBOWYOH-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106263498
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 114933070
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
2-[[(2,3,6-trichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 79025608
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-fluoro-4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 106700137

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 64926870) is 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1c(F)cccc1F.
What is the InChIKey of 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BQSACNUXBOWYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-12-5-3-6-13(16)11(12)9-17-8-10-4-1-2-7-14(10)18/h3,5-6,10,14,17-18H,1-2,4,7-9H2.
What are the key properties of 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64926870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).