1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine

C14H16BrClN2O — CID 61417281

IUPAC1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccc(Br)o1
InChIInChI=1S/C14H16BrClN2O/c1-18(9-10-4-2-3-5-11(10)16)12(8-17)13-6-7-14(15)19-13/h2-7,12H,8-9,17H2,1H3
InChIKeyJQRIPPFLDJTOSX-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 61417281) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID61417281
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccc(Br)o1
InChIInChI=1S/C14H16BrClN2O/c1-18(9-10-4-2-3-5-11(10)16)12(8-17)13-6-7-14(15)19-13/h2-7,12H,8-9,17H2,1H3
InChIKeyJQRIPPFLDJTOSX-UHFFFAOYSA-N
XLogP3.83
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 16781258
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
3-[(2-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779797

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine (CID 61417281) is 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1ccccc1Cl)C(CN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is JQRIPPFLDJTOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-18(9-10-4-2-3-5-11(10)16)12(8-17)13-6-7-14(15)19-13/h2-7,12H,8-9,17H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 343.65 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 61417281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).