1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine

C18H19BrN2 — CID 107234683

IUPAC1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc(Br)cc2)n(C)c2ccccc12
InChIInChI=1S/C18H19BrN2/c1-13-16-5-3-4-6-17(16)21(2)18(13)12-20-11-14-7-9-15(19)10-8-14/h3-10,20H,11-12H2,1-2H3
InChIKeyLIZCMOIFRMOQPV-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (PubChem CID 107234683) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
PubChem CID107234683
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc(Br)cc2)n(C)c2ccccc12
InChIInChI=1S/C18H19BrN2/c1-13-16-5-3-4-6-17(16)21(2)18(13)12-20-11-14-7-9-15(19)10-8-14/h3-10,20H,11-12H2,1-2H3
InChIKeyLIZCMOIFRMOQPV-UHFFFAOYSA-N
XLogP4.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (CID 107234683) is 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is Cc1c(CNCc2ccc(Br)cc2)n(C)c2ccccc12.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The InChIKey is LIZCMOIFRMOQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-13-16-5-3-4-6-17(16)21(2)18(13)12-20-11-14-7-9-15(19)10-8-14/h3-10,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine has a molecular weight of 343.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is sourced from PubChem (CID 107234683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).