2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C10H21F3N2O2 — CID 107494968

IUPAC2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOCC(CCCN)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-17-7-9(3-2-4-14)15(5-6-16)8-10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyIDAFLNDTMLVSLN-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.60
Rot. Bonds9

About 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107494968) has the molecular formula C10H21F3N2O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107494968
Molecular FormulaC10H21F3N2O2
Molecular Weight258.28 g/mol
Exact Mass258.16
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOCC(CCCN)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-17-7-9(3-2-4-14)15(5-6-16)8-10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyIDAFLNDTMLVSLN-UHFFFAOYSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 103391840
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
CID 103392024
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
CID 107402945

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107494968) is 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is COCC(CCCN)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IDAFLNDTMLVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2/c1-17-7-9(3-2-4-14)15(5-6-16)8-10(11,12)13/h9,16H,2-8,14H2,1H3.
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 258.28 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107494968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).