1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol

C18H17F6NO — CID 24886784

IUPAC1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESCc1cccc(N(Cc2ccc(C(F)(F)F)cc2)CC(O)C(F)(F)F)c1
InChIInChI=1S/C18H17F6NO/c1-12-3-2-4-15(9-12)25(11-16(26)18(22,23)24)10-13-5-7-14(8-6-13)17(19,20)21/h2-9,16,26H,10-11H2,1H3
InChIKeyQPNQBRKLTLLQKA-UHFFFAOYSA-N
MW377.33 g/mol
LogP4.94
Rot. Bonds5

About 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol

1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (PubChem CID 24886784) has the molecular formula C18H17F6NO and a molecular weight of 377.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
PubChem CID24886784
Molecular FormulaC18H17F6NO
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESCc1cccc(N(Cc2ccc(C(F)(F)F)cc2)CC(O)C(F)(F)F)c1
InChIInChI=1S/C18H17F6NO/c1-12-3-2-4-15(9-12)25(11-16(26)18(22,23)24)10-13-5-7-14(8-6-13)17(19,20)21/h2-9,16,26H,10-11H2,1H3
InChIKeyQPNQBRKLTLLQKA-UHFFFAOYSA-N
XLogP4.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylanilino]propan-2-ol
CID 58716443
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
3-(N-benzyl-4-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 24886302
3-(N-benzyl-3-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 10805120
3-[3,4-difluoro-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 24886306
1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol
CID 10763332
(2R)-3-[3-(3,5-dimethylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10458682
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
1,1,1-trifluoro-3-[3-methoxy-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24888195
1,1,1-trifluoro-3-[3-[(3-methylphenyl)methoxy]-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 89357744
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 23378761

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (CID 24886784) is 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is Cc1cccc(N(Cc2ccc(C(F)(F)F)cc2)CC(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The InChIKey is QPNQBRKLTLLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO/c1-12-3-2-4-15(9-12)25(11-16(26)18(22,23)24)10-13-5-7-14(8-6-13)17(19,20)21/h2-9,16,26H,10-11H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol has a molecular weight of 377.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 24886784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).