1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol

C14H19F2NO2 — CID 65108673

IUPAC1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c15-10-3-4-11(12(16)7-10)13(18)8-17-9-14(19)5-1-2-6-14/h3-4,7,13,17-19H,1-2,5-6,8-9H2
InChIKeyYHAHHIHCOLYZOF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.89
Rot. Bonds5

About 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol

1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65108673) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
PubChem CID65108673
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c15-10-3-4-11(12(16)7-10)13(18)8-17-9-14(19)5-1-2-6-14/h3-4,7,13,17-19H,1-2,5-6,8-9H2
InChIKeyYHAHHIHCOLYZOF-UHFFFAOYSA-N
XLogP1.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 106100636
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108572
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
CID 60970497
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol (CID 65108673) is 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol is OC(CNCC1(O)CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is YHAHHIHCOLYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-10-3-4-11(12(16)7-10)13(18)8-17-9-14(19)5-1-2-6-14/h3-4,7,13,17-19H,1-2,5-6,8-9H2.
What are the key properties of 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).