(5-bromo-2-ethyl-1H-indol-3-yl)methanamine

C11H13BrN2 — CID 83678398

IUPAC(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2ccc(Br)cc2c1CN
InChIInChI=1S/C11H13BrN2/c1-2-10-9(6-13)8-5-7(12)3-4-11(8)14-10/h3-5,14H,2,6,13H2,1H3
InChIKeyWFFACQNKNMUSJV-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.95
Rot. Bonds2

About (5-bromo-2-ethyl-1H-indol-3-yl)methanamine

(5-bromo-2-ethyl-1H-indol-3-yl)methanamine (PubChem CID 83678398) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (5-bromo-2-ethyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
PubChem CID83678398
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2ccc(Br)cc2c1CN
InChIInChI=1S/C11H13BrN2/c1-2-10-9(6-13)8-5-7(12)3-4-11(8)14-10/h3-5,14H,2,6,13H2,1H3
InChIKeyWFFACQNKNMUSJV-UHFFFAOYSA-N
XLogP2.95
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873
3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine
CID 170868928
3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769
ethyl 3-benzyl-5-bromo-1H-indole-2-carboxylate
CID 69486311
2-[5-bromo-2-(hydroxymethyl)-1H-indol-3-yl]-2-methylpropan-1-ol
CID 167477291
1-(5-bromo-3-methyl-1H-indol-2-yl)propan-2-one
CID 82667214
2,3-diethyl-1H-indole;hydrate
CID 70606554
5-(5-bromo-3-ethyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 146443765
(4,6-dichloro-2-ethyl-1H-indol-3-yl)methanamine
CID 83678500

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethyl-1H-indol-3-yl)methanamine?
The IUPAC name of (5-bromo-2-ethyl-1H-indol-3-yl)methanamine (CID 83678398) is (5-bromo-2-ethyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-ethyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-ethyl-1H-indol-3-yl)methanamine is CCc1[nH]c2ccc(Br)cc2c1CN.
What is the InChIKey of (5-bromo-2-ethyl-1H-indol-3-yl)methanamine?
The InChIKey is WFFACQNKNMUSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-10-9(6-13)8-5-7(12)3-4-11(8)14-10/h3-5,14H,2,6,13H2,1H3.
What are the key properties of (5-bromo-2-ethyl-1H-indol-3-yl)methanamine?
(5-bromo-2-ethyl-1H-indol-3-yl)methanamine has a molecular weight of 253.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 83678398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).