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

C15H19F4NO — CID 115282828

IUPAC1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cc(F)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H19F4NO/c16-13-7-11(6-12(8-13)15(17,18)19)9-20-10-14(21)4-2-1-3-5-14/h6-8,20-21H,1-5,9-10H2
InChIKeyGWGSTSQMTMXYBX-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.63
Rot. Bonds4

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

1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 115282828) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID115282828
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cc(F)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H19F4NO/c16-13-7-11(6-12(8-13)15(17,18)19)9-20-10-14(21)4-2-1-3-5-14/h6-8,20-21H,1-5,9-10H2
InChIKeyGWGSTSQMTMXYBX-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
CID 115282901
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 115282828) is 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2cc(F)cc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is GWGSTSQMTMXYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c16-13-7-11(6-12(8-13)15(17,18)19)9-20-10-14(21)4-2-1-3-5-14/h6-8,20-21H,1-5,9-10H2.
What are the key properties of 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 305.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115282828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).