N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

C14H17BrN2O — CID 55089307

IUPACN-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)Cc1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(10-12-6-9-18-11-12)8-7-16-14-5-3-2-4-13(14)15/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyVLOQEAXIJRYDAX-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.59
Rot. Bonds6

About N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 55089307) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID55089307
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)Cc1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(10-12-6-9-18-11-12)8-7-16-14-5-3-2-4-13(14)15/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyVLOQEAXIJRYDAX-UHFFFAOYSA-N
XLogP3.59
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503457
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62555090
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558206
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61421437
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (CID 55089307) is N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1Br)Cc1ccoc1.
What is the InChIKey of N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is VLOQEAXIJRYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17(10-12-6-9-18-11-12)8-7-16-14-5-3-2-4-13(14)15/h2-6,9,11,16H,7-8,10H2,1H3.
What are the key properties of N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 309.21 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55089307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).