1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

C14H16BrFN2O — CID 106885623

IUPAC1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1occc1Br
InChIInChI=1S/C14H16BrFN2O/c1-18(9-10-4-2-3-5-12(10)16)13(8-17)14-11(15)6-7-19-14/h2-7,13H,8-9,17H2,1H3
InChIKeyIGWQCNRVBWVCBT-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 106885623) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID106885623
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1occc1Br
InChIInChI=1S/C14H16BrFN2O/c1-18(9-10-4-2-3-5-12(10)16)13(8-17)14-11(15)6-7-19-14/h2-7,13H,8-9,17H2,1H3
InChIKeyIGWQCNRVBWVCBT-UHFFFAOYSA-N
XLogP3.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-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-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 105404788
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 106885640
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119609
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 61412209
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 106885592
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine (CID 106885623) is 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1ccccc1F)C(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is IGWQCNRVBWVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-18(9-10-4-2-3-5-12(10)16)13(8-17)14-11(15)6-7-19-14/h2-7,13H,8-9,17H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 327.20 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 106885623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).