[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol

C16H18F3N3O — CID 162611504

IUPAC[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol
SMILESCNc1cc(NC(O)Nc2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C16H18F3N3O/c1-10-6-7-13(9-14(10)20-2)22-15(23)21-12-5-3-4-11(8-12)16(17,18)19/h3-9,15,20-23H,1-2H3
InChIKeySKOQSRHHDQKEBX-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.86
Rot. Bonds5

About [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol

[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol (PubChem CID 162611504) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol.

Molecular Properties

Compound Name[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol
PubChem CID162611504
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol
SMILESCNc1cc(NC(O)Nc2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C16H18F3N3O/c1-10-6-7-13(9-14(10)20-2)22-15(23)21-12-5-3-4-11(8-12)16(17,18)19/h3-9,15,20-23H,1-2H3
InChIKeySKOQSRHHDQKEBX-UHFFFAOYSA-N
XLogP3.86
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol?
The IUPAC name of [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol (CID 162611504) is [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol.
What is the SMILES notation for [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol?
The canonical SMILES for [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol is CNc1cc(NC(O)Nc2cccc(C(F)(F)F)c2)ccc1C.
What is the InChIKey of [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol?
The InChIKey is SKOQSRHHDQKEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-6-7-13(9-14(10)20-2)22-15(23)21-12-5-3-4-11(8-12)16(17,18)19/h3-9,15,20-23H,1-2H3.
What are the key properties of [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol?
[4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol has a molecular weight of 325.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(methylamino)anilino]-[3-(trifluoromethyl)anilino]methanol is sourced from PubChem (CID 162611504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).