1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine

C13H15BrN2O — CID 65377791

IUPAC1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NC(CN)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-9-4-2-3-5-10(9)16-11(8-15)12-6-7-13(14)17-12/h2-7,11,16H,8,15H2,1H3
InChIKeyCPRBZIRKDTVLGK-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.46
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 65377791) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID65377791
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NC(CN)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-9-4-2-3-5-10(9)16-11(8-15)12-6-7-13(14)17-12/h2-7,11,16H,8,15H2,1H3
InChIKeyCPRBZIRKDTVLGK-UHFFFAOYSA-N
XLogP3.46
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
1-(5-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385832
1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65383740
3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
CID 65376147
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803391
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
CID 107316996
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104652135

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine (CID 65377791) is 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1NC(CN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is CPRBZIRKDTVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-4-2-3-5-10(9)16-11(8-15)12-6-7-13(14)17-12/h2-7,11,16H,8,15H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 295.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).