1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine

C10H10BrClN2 — CID 84641981

IUPAC1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
SMILESCNCc1[nH]c2ccc(Cl)cc2c1Br
InChIInChI=1S/C10H10BrClN2/c1-13-5-9-10(11)7-4-6(12)2-3-8(7)14-9/h2-4,13-14H,5H2,1H3
InChIKeyWAHAWSPKCNRGIF-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.30
Rot. Bonds2

About 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine

1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 84641981) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
PubChem CID84641981
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
SMILESCNCc1[nH]c2ccc(Cl)cc2c1Br
InChIInChI=1S/C10H10BrClN2/c1-13-5-9-10(11)7-4-6(12)2-3-8(7)14-9/h2-4,13-14H,5H2,1H3
InChIKeyWAHAWSPKCNRGIF-UHFFFAOYSA-N
XLogP3.30
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
CID 84640380
N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
CID 84644665
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713
2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde
CID 112711564
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 107431860
2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
CID 84642829
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
5-bromo-3-chloro-9H-carbazole
CID 156561509
2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
CID 162663759

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine (CID 84641981) is 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine is CNCc1[nH]c2ccc(Cl)cc2c1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is WAHAWSPKCNRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-13-5-9-10(11)7-4-6(12)2-3-8(7)14-9/h2-4,13-14H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine?
1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 273.56 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84641981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).