N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine

C15H16BrFN2 — CID 65384259

IUPACN-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2Br)ccc1F
InChIInChI=1S/C15H16BrFN2/c1-10-8-11(6-7-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,9,18H2,1H3
InChIKeyNAEFGDIRWUJFEF-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.01
Rot. Bonds4

About N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine

N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 65384259) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID65384259
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC NameN-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2Br)ccc1F
InChIInChI=1S/C15H16BrFN2/c1-10-8-11(6-7-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,9,18H2,1H3
InChIKeyNAEFGDIRWUJFEF-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-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

1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 82756921
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
N-(2-bromo-5-methylphenyl)-1-(3-bromophenyl)ethane-1,2-diamine
CID 82756852

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (CID 65384259) is N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is Cc1cc(C(CN)Nc2ccccc2Br)ccc1F.
What is the InChIKey of N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is NAEFGDIRWUJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-8-11(6-7-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,9,18H2,1H3.
What are the key properties of N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 323.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).