3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol

C13H17F2NO — CID 43751094

IUPAC3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h4-6,11-12,16-17H,1-3,7-8H2
InChIKeyQYCFDFKNLCAOQB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol

3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol (PubChem CID 43751094) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
PubChem CID43751094
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h4-6,11-12,16-17H,1-3,7-8H2
InChIKeyQYCFDFKNLCAOQB-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63793739
3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 43792265
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
3,5-difluoro-4-[[(3-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 107037997
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol (CID 43751094) is 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol is OC1CCCC(NCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol?
The InChIKey is QYCFDFKNLCAOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h4-6,11-12,16-17H,1-3,7-8H2.
What are the key properties of 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol?
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).