1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol

C15H21F2NO2 — CID 79831783

IUPAC1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESOc1c(F)cc(CNCC2(O)CCCCCC2)cc1F
InChIInChI=1S/C15H21F2NO2/c16-12-7-11(8-13(17)14(12)19)9-18-10-15(20)5-3-1-2-4-6-15/h7-8,18-20H,1-6,9-10H2
InChIKeyQTUJPOVSZPSZPF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.85
Rot. Bonds4

About 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol

1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 79831783) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID79831783
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESOc1c(F)cc(CNCC2(O)CCCCCC2)cc1F
InChIInChI=1S/C15H21F2NO2/c16-12-7-11(8-13(17)14(12)19)9-18-10-15(20)5-3-1-2-4-6-15/h7-8,18-20H,1-6,9-10H2
InChIKeyQTUJPOVSZPSZPF-UHFFFAOYSA-N
XLogP2.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
3,5-difluoro-4-[[(1-hydroxycycloheptyl)methylamino]methyl]benzonitrile
CID 107038514
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol (CID 79831783) is 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol is Oc1c(F)cc(CNCC2(O)CCCCCC2)cc1F.
What is the InChIKey of 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is QTUJPOVSZPSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-12-7-11(8-13(17)14(12)19)9-18-10-15(20)5-3-1-2-4-6-15/h7-8,18-20H,1-6,9-10H2.
What are the key properties of 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 79831783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).