N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H14BrF3N2 — CID 65378734

IUPACN-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14BrF3N2/c16-12-2-1-3-13(8-12)21-14(9-20)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyWUTDJGXFWAIAFI-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.58
Rot. Bonds4

About N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65378734) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65378734
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC NameN-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14BrF3N2/c16-12-2-1-3-13(8-12)21-14(9-20)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyWUTDJGXFWAIAFI-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

N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65379159
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65378734) is N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is WUTDJGXFWAIAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c16-12-2-1-3-13(8-12)21-14(9-20)10-4-6-11(7-5-10)15(17,18)19/h1-8,14,21H,9,20H2.
What are the key properties of N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(3-bromophenyl)-1-[4-(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-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65378734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).