2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

C15H19F4NO — CID 115282883

IUPAC2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NO/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-11-3-1-2-4-14(11)21/h5-7,11,14,20-21H,1-4,8-9H2
InChIKeyIMWGHDMKLQDIRV-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.49
Rot. Bonds4

About 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 115282883) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID115282883
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19F4NO/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-11-3-1-2-4-14(11)21/h5-7,11,14,20-21H,1-4,8-9H2
InChIKeyIMWGHDMKLQDIRV-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 115980488
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
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

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 115282883) is 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IMWGHDMKLQDIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-11-3-1-2-4-14(11)21/h5-7,11,14,20-21H,1-4,8-9H2.
What are the key properties of 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 305.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115282883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).