1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol

C15H21F2NO2 — CID 111466689

IUPAC1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ccc(OCC(F)F)cc2)CCCC1
InChIInChI=1S/C15H21F2NO2/c16-14(17)10-20-13-5-3-12(4-6-13)9-18-11-15(19)7-1-2-8-15/h3-6,14,18-19H,1-2,7-11H2
InChIKeyAGYJREVSFUOXIH-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds7

About 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol

1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 111466689) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
PubChem CID111466689
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ccc(OCC(F)F)cc2)CCCC1
InChIInChI=1S/C15H21F2NO2/c16-14(17)10-20-13-5-3-12(4-6-13)9-18-11-15(19)7-1-2-8-15/h3-6,14,18-19H,1-2,7-11H2
InChIKeyAGYJREVSFUOXIH-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
CID 111114650
1-[[[4-[(2R)-3-[benzyl(methyl)amino]-2-hydroxypropoxy]phenyl]methylamino]methyl]cyclohexan-1-ol
CID 42396084
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol (CID 111466689) is 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2ccc(OCC(F)F)cc2)CCCC1.
What is the InChIKey of 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is AGYJREVSFUOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-14(17)10-20-13-5-3-12(4-6-13)9-18-11-15(19)7-1-2-8-15/h3-6,14,18-19H,1-2,7-11H2.
What are the key properties of 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol?
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111466689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).