3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol

C22H27FN4O — CID 135605264

IUPAC3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESCCN(CC)CCNc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1C
InChIInChI=1S/C22H27FN4O/c1-4-27(5-2)11-10-24-20-9-7-17(12-15(20)3)25-14-19-18-13-16(23)6-8-21(18)26-22(19)28/h6-9,12-14,24,26,28H,4-5,10-11H2,1-3H3/b25-14+
InChIKeyYNBLEWQSWQFLQW-AFUMVMLFSA-N
MW382.48 g/mol
LogP4.83
Rot. Bonds8

About 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol

3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol (PubChem CID 135605264) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
PubChem CID135605264
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESCCN(CC)CCNc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1C
InChIInChI=1S/C22H27FN4O/c1-4-27(5-2)11-10-24-20-9-7-17(12-15(20)3)25-14-19-18-13-16(23)6-8-21(18)26-22(19)28/h6-9,12-14,24,26,28H,4-5,10-11H2,1-3H3/b25-14+
InChIKeyYNBLEWQSWQFLQW-AFUMVMLFSA-N
XLogP4.83
TPSA63.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-[[4-[ethyl(2-methoxyethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605546
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605516
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605378
3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605075
6-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605106
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
4-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-hydroxy-1H-indol-3-yl]methylideneamino]-N-[2-(diethylamino)ethyl]benzamide
CID 135925090
3-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605311
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605232

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol (CID 135605264) is 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol is CCN(CC)CCNc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1C.
What is the InChIKey of 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is YNBLEWQSWQFLQW-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-4-27(5-2)11-10-24-20-9-7-17(12-15(20)3)25-14-19-18-13-16(23)6-8-21(18)26-22(19)28/h6-9,12-14,24,26,28H,4-5,10-11H2,1-3H3/b25-14+.
What are the key properties of 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol?
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol has a molecular weight of 382.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135605264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).