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

Related Compounds

(3-Fluorophenyl)(3-furylmethyl)amine
CID 784125
N-(3-Furanylmethyl)-N-phenylamine
CID 18938795
N-[(furan-3-yl)methyl]-4-methylaniline
CID 44451043
N-(3-bromophenyl)-2-methylfuran-3-carboxamide
CID 896319
4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline
CID 115884768
1-(4-Fluorophenyl)-4-(3-furylmethyl)piperazine
CID 751396
N-(3-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
CID 4637579
N-(4-fluorophenyl)-1-(furan-3-ylmethyl)piperidin-4-amine
CID 4675391
1-(4-Fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium
CID 6936917
1-(2-Fluorophenyl)-4-(3-furanylmethyl)piperazine
CID 23964989
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 40320629
4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline
CID 43121250

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).