3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19F2NO — CID 103699998

IUPAC3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cccc(F)c2F)C1
InChIInChI=1S/C14H19F2NO/c15-13-6-2-4-11(14(13)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyFXKBRWPHQRMELY-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.61
Rot. Bonds4

About 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699998) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699998
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cccc(F)c2F)C1
InChIInChI=1S/C14H19F2NO/c15-13-6-2-4-11(14(13)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyFXKBRWPHQRMELY-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

3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
3-[[(2-fluoro-3-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129534
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699998) is 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2cccc(F)c2F)C1.
What is the InChIKey of 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is FXKBRWPHQRMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-13-6-2-4-11(14(13)16)9-17-8-10-3-1-5-12(18)7-10/h2,4,6,10,12,17-18H,1,3,5,7-9H2.
What are the key properties of 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2,3-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 3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).