2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol

C14H21F3N2O — CID 116695191

IUPAC2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
SMILESCCN(CCC(N)(CO)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-2-19(10-14(15,16)17)9-8-13(18,11-20)12-6-4-3-5-7-12/h3-7,20H,2,8-11,18H2,1H3
InChIKeyFRTFVBYEBVUJND-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.11
Rot. Bonds7

About 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol

2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol (PubChem CID 116695191) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
PubChem CID116695191
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
SMILESCCN(CCC(N)(CO)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-2-19(10-14(15,16)17)9-8-13(18,11-20)12-6-4-3-5-7-12/h3-7,20H,2,8-11,18H2,1H3
InChIKeyFRTFVBYEBVUJND-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-amino-2-phenylpentan-1-ol
CID 61056433
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
CID 43829790
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol (CID 116695191) is 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol is CCN(CCC(N)(CO)c1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol?
The InChIKey is FRTFVBYEBVUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-19(10-14(15,16)17)9-8-13(18,11-20)12-6-4-3-5-7-12/h3-7,20H,2,8-11,18H2,1H3.
What are the key properties of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol?
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol has a molecular weight of 290.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).