N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine

C11H15BrF2N2 — CID 106264335

IUPACN'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H15BrF2N2/c1-2-16(6-5-15)7-8-10(13)4-3-9(12)11(8)14/h3-4H,2,5-7,15H2,1H3
InChIKeyYUWSXINPTKFMQE-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.51
Rot. Bonds5

About N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 106264335) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.15 g/mol. Its IUPAC name is N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID106264335
Molecular FormulaC11H15BrF2N2
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC NameN'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H15BrF2N2/c1-2-16(6-5-15)7-8-10(13)4-3-9(12)11(8)14/h3-4H,2,5-7,15H2,1H3
InChIKeyYUWSXINPTKFMQE-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-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

Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
1-(3-Bromobenzyl)piperazine
CID 876852
(3-Bromo-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10085970
N-(3-bromobenzyl)-N-pentylamine
CID 11958382
N-(3-bromobenzyl)-N-hexylamine
CID 11958384
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 106264335) is N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is YUWSXINPTKFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c1-2-16(6-5-15)7-8-10(13)4-3-9(12)11(8)14/h3-4H,2,5-7,15H2,1H3.
What are the key properties of N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 293.15 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-2,6-difluorophenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 106264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).