N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine

C22H23BrN2 — CID 132537250

IUPACN-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine
SMILESCc1ccc(N(C)CC(Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23BrN2/c1-17-8-14-21(15-9-17)25(2)16-22(18-6-4-3-5-7-18)24-20-12-10-19(23)11-13-20/h3-15,22,24H,16H2,1-2H3
InChIKeyFCGKNIKQNTWSOA-UHFFFAOYSA-N
MW395.34 g/mol
LogP6.05
Rot. Bonds6

About N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine

N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine (PubChem CID 132537250) has the molecular formula C22H23BrN2 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine
PubChem CID132537250
Molecular FormulaC22H23BrN2
Molecular Weight395.34 g/mol
Exact Mass394.10
IUPAC NameN-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine
SMILESCc1ccc(N(C)CC(Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23BrN2/c1-17-8-14-21(15-9-17)25(2)16-22(18-6-4-3-5-7-18)24-20-12-10-19(23)11-13-20/h3-15,22,24H,16H2,1-2H3
InChIKeyFCGKNIKQNTWSOA-UHFFFAOYSA-N
XLogP6.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine 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-(1-phenylpentyl)aniline
CID 43762744
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
4-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410491
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
1-(4-bromophenyl)-3-(4-iodoanilino)-3-phenylpropan-1-one
CID 132593966

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine (CID 132537250) is N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine is Cc1ccc(N(C)CC(Nc2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine?
The InChIKey is FCGKNIKQNTWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2/c1-17-8-14-21(15-9-17)25(2)16-22(18-6-4-3-5-7-18)24-20-12-10-19(23)11-13-20/h3-15,22,24H,16H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine?
N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine has a molecular weight of 395.34 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 132537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).