N-methoxy-1H-indol-2-amine;dihydrobromide

C9H12Br2N2O — CID 140506917

IUPACN-methoxy-1H-indol-2-amine;dihydrobromide
SMILESBr.Br.CONc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O.2BrH/c1-12-11-9-6-7-4-2-3-5-8(7)10-9;;/h2-6,10-11H,1H3;2*1H
InChIKeyXIEFEJIQJPEAEY-UHFFFAOYSA-N
MW324.02 g/mol
LogP3.30
Rot. Bonds2

About N-methoxy-1H-indol-2-amine;dihydrobromide

N-methoxy-1H-indol-2-amine;dihydrobromide (PubChem CID 140506917) has the molecular formula C9H12Br2N2O and a molecular weight of 324.02 g/mol. Its IUPAC name is N-methoxy-1H-indol-2-amine;dihydrobromide.

Molecular Properties

Compound NameN-methoxy-1H-indol-2-amine;dihydrobromide
PubChem CID140506917
Molecular FormulaC9H12Br2N2O
Molecular Weight324.02 g/mol
Exact Mass321.93
IUPAC NameN-methoxy-1H-indol-2-amine;dihydrobromide
SMILESBr.Br.CONc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O.2BrH/c1-12-11-9-6-7-4-2-3-5-8(7)10-9;;/h2-6,10-11H,1H3;2*1H
InChIKeyXIEFEJIQJPEAEY-UHFFFAOYSA-N
XLogP3.30
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.02
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(1H-indol-2-yl)carbamate
CID 68950849
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
N-(3-methoxyphenyl)-1H-indol-2-amine
CID 175140738
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
chloro N-(1H-indol-2-yl)carbamate
CID 174677081
2-(1H-indol-2-yl)-N-methoxyethanamine
CID 154141059
N-prop-2-enyl-1H-indol-2-amine
CID 70407223
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
CID 151637556
benzene;2-methyl-1H-indole
CID 158804583
2-methyl-1H-indole;hydrofluoride
CID 163912177

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1H-indol-2-amine;dihydrobromide?
The IUPAC name of N-methoxy-1H-indol-2-amine;dihydrobromide (CID 140506917) is N-methoxy-1H-indol-2-amine;dihydrobromide.
What is the SMILES notation for N-methoxy-1H-indol-2-amine;dihydrobromide?
The canonical SMILES for N-methoxy-1H-indol-2-amine;dihydrobromide is Br.Br.CONc1cc2ccccc2[nH]1.
What is the InChIKey of N-methoxy-1H-indol-2-amine;dihydrobromide?
The InChIKey is XIEFEJIQJPEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.2BrH/c1-12-11-9-6-7-4-2-3-5-8(7)10-9;;/h2-6,10-11H,1H3;2*1H.
What are the key properties of N-methoxy-1H-indol-2-amine;dihydrobromide?
N-methoxy-1H-indol-2-amine;dihydrobromide has a molecular weight of 324.02 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1H-indol-2-amine;dihydrobromide is sourced from PubChem (CID 140506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).