3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol

C19H18F3N3O2 — CID 135605232

IUPAC3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCOCCNc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-27-9-8-23-17-7-6-12(10-15(17)19(20,21)22)24-11-14-13-4-2-3-5-16(13)25-18(14)26/h2-7,10-11,23,25-26H,8-9H2,1H3/b24-11+
InChIKeyBPVUWTQGBMVRKE-BHGWPJFGSA-N
MW377.37 g/mol
LogP4.70
Rot. Bonds6

About 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol

3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605232) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605232
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCOCCNc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-27-9-8-23-17-7-6-12(10-15(17)19(20,21)22)24-11-14-13-4-2-3-5-16(13)25-18(14)26/h2-7,10-11,23,25-26H,8-9H2,1H3/b24-11+
InChIKeyBPVUWTQGBMVRKE-BHGWPJFGSA-N
XLogP4.70
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[[4-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605381
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[[4-[ethyl(2-methoxyethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605546
3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605031
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
4-[(2-hydroxy-6-methoxycarbonyl-1H-indol-3-yl)methylideneamino]benzoic acid
CID 135837755
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
6-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605106
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605232) is 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is COCCNc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is BPVUWTQGBMVRKE-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-27-9-8-23-17-7-6-12(10-15(17)19(20,21)22)24-11-14-13-4-2-3-5-16(13)25-18(14)26/h2-7,10-11,23,25-26H,8-9H2,1H3/b24-11+.
What are the key properties of 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 377.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).