N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline

C22H19BrN2 — CID 57379323

IUPACN-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19BrN2/c1-25(18-7-3-2-4-8-18)22(16-11-13-17(23)14-12-16)20-15-24-21-10-6-5-9-19(20)21/h2-15,22,24H,1H3
InChIKeyQPDFHZLAUMZYBS-UHFFFAOYSA-N
MW391.31 g/mol
LogP6.16
Rot. Bonds4

About N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline

N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline (PubChem CID 57379323) has the molecular formula C22H19BrN2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
PubChem CID57379323
Molecular FormulaC22H19BrN2
Molecular Weight391.31 g/mol
Exact Mass390.07
IUPAC NameN-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19BrN2/c1-25(18-7-3-2-4-8-18)22(16-11-13-17(23)14-12-16)20-15-24-21-10-6-5-9-19(20)21/h2-15,22,24H,1H3
InChIKeyQPDFHZLAUMZYBS-UHFFFAOYSA-N
XLogP6.16
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
CID 71399214
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
3-[(4-bromophenyl)-(4-methylphenyl)sulfanylmethyl]-1H-indole
CID 102234751
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 102051740
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
3-propan-2-yl-1H-indole
CID 12534824
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline?
The IUPAC name of N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline (CID 57379323) is N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline?
The canonical SMILES for N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline is CN(c1ccccc1)C(c1ccc(Br)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline?
The InChIKey is QPDFHZLAUMZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2/c1-25(18-7-3-2-4-8-18)22(16-11-13-17(23)14-12-16)20-15-24-21-10-6-5-9-19(20)21/h2-15,22,24H,1H3.
What are the key properties of N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline?
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline has a molecular weight of 391.31 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline is sourced from PubChem (CID 57379323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).