2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol

C10H19F3N2O — CID 65379525

IUPAC2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESNCC1(NCCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-1-3-9(7-14,4-2-8)15-5-6-16/h8,15-16H,1-7,14H2
InChIKeyJMKNURRFPXAMKE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.02
Rot. Bonds4

About 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol

2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol (PubChem CID 65379525) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
PubChem CID65379525
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESNCC1(NCCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-1-3-9(7-14,4-2-8)15-5-6-16/h8,15-16H,1-7,14H2
InChIKeyJMKNURRFPXAMKE-UHFFFAOYSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
2-[[(1S,2S,5S)-2-(tert-butylamino)-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
CID 134429499
2-[[(1S,2S,5S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
CID 134429802
2-[[(1S,2S)-2-amino-5-(trifluoromethyl)cyclohexyl]-methylamino]ethanol
CID 134438317
2-[[2-Amino-6-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 157419141
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 63899443
3-[[1-(Dimethylamino)-3-methylcyclohexyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 63899836
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63900026
1,1,1-Trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol
CID 63901482
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754487

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol (CID 65379525) is 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol is NCC1(NCCO)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The InChIKey is JMKNURRFPXAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-1-3-9(7-14,4-2-8)15-5-6-16/h8,15-16H,1-7,14H2.
What are the key properties of 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol?
2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol has a molecular weight of 240.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 65379525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).