2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol

C10H20F2N2O — CID 107478847

IUPAC2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC1CCCC1N(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O/c11-10(12)7-14(4-5-15)9-3-1-2-8(9)6-13/h8-10,15H,1-7,13H2
InChIKeyBIOQUDGVHXMZMZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.67
Rot. Bonds6

About 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478847) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478847
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC1CCCC1N(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O/c11-10(12)7-14(4-5-15)9-3-1-2-8(9)6-13/h8-10,15H,1-7,13H2
InChIKeyBIOQUDGVHXMZMZ-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172334449
2-[Methyl-[5,5,5-trifluoro-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 172334686
2-[Methyl-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172335247
Ethane;2-[methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172335798
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
CID 54993479
1,1,1-Trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63899444
3-[3-(1-Aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899982
2-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65826787
2-(aminomethyl)-N-ethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
CID 65828135
3-[[2-(Aminomethyl)cyclopentyl]-ethylamino]-1,1,1-trifluoropropan-2-ol
CID 65828904
2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65833741
2-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65849383

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478847) is 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol is NCC1CCCC1N(CCO)CC(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is BIOQUDGVHXMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c11-10(12)7-14(4-5-15)9-3-1-2-8(9)6-13/h8-10,15H,1-7,13H2.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).