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

C18H19BrN2 — CID 107235482

IUPAC1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2cccc(Br)c2)n(C)c2ccccc12
InChIInChI=1S/C18H19BrN2/c1-13-16-8-3-4-9-17(16)21(2)18(13)12-20-11-14-6-5-7-15(19)10-14/h3-10,20H,11-12H2,1-2H3
InChIKeySFWWGPQGANEZMC-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.54
Rot. Bonds4

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

1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (PubChem CID 107235482) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
PubChem CID107235482
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2cccc(Br)c2)n(C)c2ccccc12
InChIInChI=1S/C18H19BrN2/c1-13-16-8-3-4-9-17(16)21(2)18(13)12-20-11-14-6-5-7-15(19)10-14/h3-10,20H,11-12H2,1-2H3
InChIKeySFWWGPQGANEZMC-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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Related Compounds

1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[(1,3-dimethylindol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 107235601
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118
2-bromo-N-[(1,3-dimethylindol-2-yl)methyl]-6-fluoroaniline
CID 107598490
2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235840
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (CID 107235482) is 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is Cc1c(CNCc2cccc(Br)c2)n(C)c2ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The InChIKey is SFWWGPQGANEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-13-16-8-3-4-9-17(16)21(2)18(13)12-20-11-14-6-5-7-15(19)10-14/h3-10,20H,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
1-(3-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-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is sourced from PubChem (CID 107235482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).