2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

C14H20F3NO — CID 66037251

IUPAC2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)NCC(C)(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-10(2)18-9-13(3,19)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,10,18-19H,8-9H2,1-3H3
InChIKeyNVMZHLACESBJRD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 66037251) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID66037251
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)NCC(C)(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-10(2)18-9-13(3,19)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,10,18-19H,8-9H2,1-3H3
InChIKeyNVMZHLACESBJRD-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 63511400
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 66037251) is 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(C)NCC(C)(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is NVMZHLACESBJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)18-9-13(3,19)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,10,18-19H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 275.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 66037251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).