1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

C17H21BrN2 — CID 63404268

IUPAC1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyGDIVNRILSPBEGZ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63404268) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63404268
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyGDIVNRILSPBEGZ-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
3-[[2-amino-1-(4-methylphenyl)ethyl]-ethylamino]propanenitrile
CID 55016365
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 63208552

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 63404268) is 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is GDIVNRILSPBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-3-20(16-10-4-13(2)5-11-16)17(12-19)14-6-8-15(18)9-7-14/h4-11,17H,3,12,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63404268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).