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

C14H17BrN2O — CID 62558207

IUPACN-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)Cc1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(10-12-5-8-18-11-12)7-6-16-14-4-2-3-13(15)9-14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyOMTCPXOJIKERHK-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.59
Rot. Bonds6

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

N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62558207) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62558207
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)Cc1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(10-12-5-8-18-11-12)7-6-16-14-4-2-3-13(15)9-14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyOMTCPXOJIKERHK-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

Analyze N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (CID 62558207) is N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNc1cccc(Br)c1)Cc1ccoc1.
What is the InChIKey of N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is OMTCPXOJIKERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17(10-12-5-8-18-11-12)7-6-16-14-4-2-3-13(15)9-14/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
N-(3-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-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62558207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).