1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

C17H21BrN2 — CID 43104509

IUPAC1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2/c1-3-20(16-10-5-4-7-13(16)2)17(12-19)14-8-6-9-15(18)11-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyDFIFOARIPIBUIQ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 43104509) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID43104509
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2/c1-3-20(16-10-5-4-7-13(16)2)17(12-19)14-8-6-9-15(18)11-14/h4-11,17H,3,12,19H2,1-2H3
InChIKeyDFIFOARIPIBUIQ-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

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Related Compounds

1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43184725
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 79578411
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
CID 43184723
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (CID 43104509) is 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is CCN(c1ccccc1C)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is DFIFOARIPIBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-3-20(16-10-5-4-7-13(16)2)17(12-19)14-8-6-9-15(18)11-14/h4-11,17H,3,12,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
1-(3-bromophenyl)-N-ethyl-N-(2-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-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43104509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).