(4-bromo-1-cyclopropylindol-3-yl)methanamine

C12H13BrN2 — CID 115049318

IUPAC(4-bromo-1-cyclopropylindol-3-yl)methanamine
SMILESNCc1cn(C2CC2)c2cccc(Br)c12
InChIInChI=1S/C12H13BrN2/c13-10-2-1-3-11-12(10)8(6-14)7-15(11)9-4-5-9/h1-3,7,9H,4-6,14H2
InChIKeyNNMOEGUNLSFQAK-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.20
Rot. Bonds2

About (4-bromo-1-cyclopropylindol-3-yl)methanamine

(4-bromo-1-cyclopropylindol-3-yl)methanamine (PubChem CID 115049318) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylindol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylindol-3-yl)methanamine
PubChem CID115049318
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name(4-bromo-1-cyclopropylindol-3-yl)methanamine
SMILESNCc1cn(C2CC2)c2cccc(Br)c12
InChIInChI=1S/C12H13BrN2/c13-10-2-1-3-11-12(10)8(6-14)7-15(11)9-4-5-9/h1-3,7,9H,4-6,14H2
InChIKeyNNMOEGUNLSFQAK-UHFFFAOYSA-N
XLogP3.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopropylindol-4-yl)methanamine
CID 115017108
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
3-bromo-1-cyclopropyl-4-methoxyindole
CID 115049434
(1-cyclopropylindol-7-yl)methanamine
CID 115017101
2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine
CID 115053079
2-(1-cyclopropylindol-3-yl)ethanol
CID 22372063
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
1-cyclopropyl-4-methoxy-3-methylindole
CID 91447523
3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
CID 115053082
3-butan-2-yl-4-chloro-1-cyclopropylindole
CID 123992732

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylindol-3-yl)methanamine?
The IUPAC name of (4-bromo-1-cyclopropylindol-3-yl)methanamine (CID 115049318) is (4-bromo-1-cyclopropylindol-3-yl)methanamine.
What is the SMILES notation for (4-bromo-1-cyclopropylindol-3-yl)methanamine?
The canonical SMILES for (4-bromo-1-cyclopropylindol-3-yl)methanamine is NCc1cn(C2CC2)c2cccc(Br)c12.
What is the InChIKey of (4-bromo-1-cyclopropylindol-3-yl)methanamine?
The InChIKey is NNMOEGUNLSFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-10-2-1-3-11-12(10)8(6-14)7-15(11)9-4-5-9/h1-3,7,9H,4-6,14H2.
What are the key properties of (4-bromo-1-cyclopropylindol-3-yl)methanamine?
(4-bromo-1-cyclopropylindol-3-yl)methanamine has a molecular weight of 265.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylindol-3-yl)methanamine is sourced from PubChem (CID 115049318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).