(4-bromo-7-methoxy-1H-indol-3-yl)methanamine

C10H11BrN2O — CID 83901052

IUPAC(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
SMILESCOc1ccc(Br)c2c(CN)c[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-8-3-2-7(11)9-6(4-12)5-13-10(8)9/h2-3,5,13H,4,12H2,1H3
InChIKeyCRMISMUXZXPTGF-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.40
Rot. Bonds2

About (4-bromo-7-methoxy-1H-indol-3-yl)methanamine

(4-bromo-7-methoxy-1H-indol-3-yl)methanamine (PubChem CID 83901052) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (4-bromo-7-methoxy-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
PubChem CID83901052
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
SMILESCOc1ccc(Br)c2c(CN)c[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-8-3-2-7(11)9-6(4-12)5-13-10(8)9/h2-3,5,13H,4,12H2,1H3
InChIKeyCRMISMUXZXPTGF-UHFFFAOYSA-N
XLogP2.40
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84655944
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
CID 130049757
2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82498773
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663
(7-bromo-6-methyl-1H-indol-3-yl)methanamine
CID 130049517
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic acid
CID 82383509
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-methoxy-1H-indol-3-yl)methanamine?
The IUPAC name of (4-bromo-7-methoxy-1H-indol-3-yl)methanamine (CID 83901052) is (4-bromo-7-methoxy-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4-bromo-7-methoxy-1H-indol-3-yl)methanamine?
The canonical SMILES for (4-bromo-7-methoxy-1H-indol-3-yl)methanamine is COc1ccc(Br)c2c(CN)c[nH]c12.
What is the InChIKey of (4-bromo-7-methoxy-1H-indol-3-yl)methanamine?
The InChIKey is CRMISMUXZXPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-14-8-3-2-7(11)9-6(4-12)5-13-10(8)9/h2-3,5,13H,4,12H2,1H3.
What are the key properties of (4-bromo-7-methoxy-1H-indol-3-yl)methanamine?
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine has a molecular weight of 255.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-methoxy-1H-indol-3-yl)methanamine is sourced from PubChem (CID 83901052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).