3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide

C13H18F3N3O — CID 107480304

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)11(8-12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18)
InChIKeyQFYKMEAOWHKHJS-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.91
Rot. Bonds7

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide (PubChem CID 107480304) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
PubChem CID107480304
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)11(8-12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18)
InChIKeyQFYKMEAOWHKHJS-UHFFFAOYSA-N
XLogP1.91
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
3-[ethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanethioamide
CID 55117640
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830
3-(2-hydroxyethylsulfanyl)-3-phenylpropanimidamide
CID 62779770
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62876798
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
CID 62779599

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide (CID 107480304) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide?
The InChIKey is QFYKMEAOWHKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)11(8-12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide has a molecular weight of 289.30 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 107480304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).