2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole

C19H18BrN — CID 18946915

IUPAC2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
SMILESBrc1ccc(Cc2cc3ccccc3n2CC2CC2)cc1
InChIInChI=1S/C19H18BrN/c20-17-9-7-14(8-10-17)11-18-12-16-3-1-2-4-19(16)21(18)13-15-5-6-15/h1-4,7-10,12,15H,5-6,11,13H2
InChIKeyLSDZOXOUXYGRJJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.40
Rot. Bonds4

About 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole

2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole (PubChem CID 18946915) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
PubChem CID18946915
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
SMILESBrc1ccc(Cc2cc3ccccc3n2CC2CC2)cc1
InChIInChI=1S/C19H18BrN/c20-17-9-7-14(8-10-17)11-18-12-16-3-1-2-4-19(16)21(18)13-15-5-6-15/h1-4,7-10,12,15H,5-6,11,13H2
InChIKeyLSDZOXOUXYGRJJ-UHFFFAOYSA-N
XLogP5.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole (CID 18946915) is 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole is Brc1ccc(Cc2cc3ccccc3n2CC2CC2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole?
The InChIKey is LSDZOXOUXYGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c20-17-9-7-14(8-10-17)11-18-12-16-3-1-2-4-19(16)21(18)13-15-5-6-15/h1-4,7-10,12,15H,5-6,11,13H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole?
2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole has a molecular weight of 340.26 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole is sourced from PubChem (CID 18946915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).