O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine

C12H15FN2O — CID 117318086

IUPACO-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine
SMILESCc1cn(C)c2c(F)cc(CCON)cc12
InChIInChI=1S/C12H15FN2O/c1-8-7-15(2)12-10(8)5-9(3-4-16-14)6-11(12)13/h5-7H,3-4,14H2,1-2H3
InChIKeyPUXCDZMWQKNVRK-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.06
Rot. Bonds3

About O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine

O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine (PubChem CID 117318086) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine
PubChem CID117318086
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameO-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine
SMILESCc1cn(C)c2c(F)cc(CCON)cc12
InChIInChI=1S/C12H15FN2O/c1-8-7-15(2)12-10(8)5-9(3-4-16-14)6-11(12)13/h5-7H,3-4,14H2,1-2H3
InChIKeyPUXCDZMWQKNVRK-UHFFFAOYSA-N
XLogP2.06
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-5-(isocyanatomethyl)-1,3-dimethylindole
CID 117310745
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
2-amino-3-(7-fluoro-1,3-dimethylindol-5-yl)propanoic acid
CID 115003704
7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
CID 117407896
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine
CID 117368389
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123
methyl 5-(2-aminooxyethyl)-2,3-difluorobenzoate
CID 117333559
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
CID 117310349

Frequently Asked Questions

What is the IUPAC name of O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine (CID 117318086) is O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine is Cc1cn(C)c2c(F)cc(CCON)cc12.
What is the InChIKey of O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine?
The InChIKey is PUXCDZMWQKNVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-7-15(2)12-10(8)5-9(3-4-16-14)6-11(12)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine?
O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine has a molecular weight of 222.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117318086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).