1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

C17H21BrN2 — CID 65484872

IUPAC1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2/c1-20(12-11-14-5-3-2-4-6-14)17(13-19)15-7-9-16(18)10-8-15/h2-10,17H,11-13,19H2,1H3
InChIKeyWXFPMWQMQSQTCL-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 65484872) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID65484872
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccc1)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2/c1-20(12-11-14-5-3-2-4-6-14)17(13-19)15-7-9-16(18)10-8-15/h2-10,17H,11-13,19H2,1H3
InChIKeyWXFPMWQMQSQTCL-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-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

1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65483708
N-methyl-N-(2-phenylethyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65483504
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484279
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 103569668
1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79385181
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 114487976
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (CID 65484872) is 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is CN(CCc1ccccc1)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is WXFPMWQMQSQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-20(12-11-14-5-3-2-4-6-14)17(13-19)15-7-9-16(18)10-8-15/h2-10,17H,11-13,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65484872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).