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

C11H16BrFN2 — CID 107951116

IUPACN'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3
InChIKeyPNMLNRNSTLFHPU-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.37
Rot. Bonds5

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

N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 107951116) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID107951116
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC NameN'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3
InChIKeyPNMLNRNSTLFHPU-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(3-bromo-2-fluorophenyl)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

N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
N'-ethyl-N'-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
CID 103102090
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
CID 55027071
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
CID 54965709
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 106269278

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 107951116) is N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cccc(Br)c1F.
What is the InChIKey of N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is PNMLNRNSTLFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3.
What are the key properties of N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 275.16 g/mol, XLogP of 2.37, 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-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 107951116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).