N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H14BrF3N2 — CID 65383219

IUPACN-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c16-12-6-1-2-7-13(12)21-14(9-20)10-4-3-5-11(8-10)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyHEGMDUCCNPIOMD-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.58
Rot. Bonds4

About N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65383219) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65383219
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC NameN-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c16-12-6-1-2-7-13(12)21-14(9-20)10-4-3-5-11(8-10)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyHEGMDUCCNPIOMD-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
N-(2-methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616278
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65383219) is N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is HEGMDUCCNPIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c16-12-6-1-2-7-13(12)21-14(9-20)10-4-3-5-11(8-10)15(17,18)19/h1-8,14,21H,9,20H2.
What are the key properties of N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 359.19 g/mol, XLogP of 4.58, 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-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65383219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).