2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol

C10H19F3N2O — CID 134429802

IUPAC2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
SMILESCN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1N
InChIInChI=1S/C10H19F3N2O/c1-15(4-5-16)9-6-7(10(11,12)13)2-3-8(9)14/h7-9,16H,2-6,14H2,1H3/t7-,8-,9-/m0/s1
InChIKeyLMCULVABVBVITD-CIUDSAMLSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds3

About 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol

2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol (PubChem CID 134429802) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
PubChem CID134429802
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
SMILESCN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1N
InChIInChI=1S/C10H19F3N2O/c1-15(4-5-16)9-6-7(10(11,12)13)2-3-8(9)14/h7-9,16H,2-6,14H2,1H3/t7-,8-,9-/m0/s1
InChIKeyLMCULVABVBVITD-CIUDSAMLSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The IUPAC name of 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol (CID 134429802) is 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol is CN(CCO)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1N.
What is the InChIKey of 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
The InChIKey is LMCULVABVBVITD-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(4-5-16)9-6-7(10(11,12)13)2-3-8(9)14/h7-9,16H,2-6,14H2,1H3/t7-,8-,9-/m0/s1.
What are the key properties of 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol?
2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol is sourced from PubChem (CID 134429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).