2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol

C14H21F3N2O2 — CID 61056755

IUPAC2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESCN(C)CCNC(C)(CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O2/c1-13(10-20,18-8-9-19(2)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,18,20H,8-10H2,1-3H3
InChIKeyQJXBKRDXZRTFPR-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.94
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol

2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 61056755) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID61056755
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESCN(C)CCNC(C)(CO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O2/c1-13(10-20,18-8-9-19(2)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,18,20H,8-10H2,1-3H3
InChIKeyQJXBKRDXZRTFPR-UHFFFAOYSA-N
XLogP1.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-fluorophenyl)propan-1-ol
CID 61049819
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 64555572
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111023894
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
CID 115619649

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol (CID 61056755) is 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol is CN(C)CCNC(C)(CO)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is QJXBKRDXZRTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-13(10-20,18-8-9-19(2)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,18,20H,8-10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol?
2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 306.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 61056755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).