1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol

C15H23F3N2O — CID 116695800

IUPAC1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCCN(CCC(O)(CN)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-2-9-20(12-15(16,17)18)10-8-14(21,11-19)13-6-4-3-5-7-13/h3-7,21H,2,8-12,19H2,1H3
InChIKeyWEWLNMRFOAOBTO-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.50
Rot. Bonds8

About 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol

1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol (PubChem CID 116695800) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
PubChem CID116695800
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCCN(CCC(O)(CN)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-2-9-20(12-15(16,17)18)10-8-14(21,11-19)13-6-4-3-5-7-13/h3-7,21H,2,8-12,19H2,1H3
InChIKeyWEWLNMRFOAOBTO-UHFFFAOYSA-N
XLogP2.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
CID 116695809
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
CID 116695799
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
CID 116695860
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365
4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43829791

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol (CID 116695800) is 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol is CCCN(CCC(O)(CN)c1ccccc1)CC(F)(F)F.
What is the InChIKey of 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The InChIKey is WEWLNMRFOAOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-9-20(12-15(16,17)18)10-8-14(21,11-19)13-6-4-3-5-7-13/h3-7,21H,2,8-12,19H2,1H3.
What are the key properties of 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol has a molecular weight of 304.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol is sourced from PubChem (CID 116695800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).