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

C15H14BrF3N2 — CID 65377278

IUPACN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14BrF3N2/c16-10-4-3-5-11(8-10)21-14(9-20)12-6-1-2-7-13(12)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyVUEGWVBITWVFEV-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.58
Rot. Bonds4

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

N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65377278) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65377278
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC NameN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14BrF3N2/c16-10-4-3-5-11(8-10)21-14(9-20)12-6-1-2-7-13(12)15(17,18)19/h1-8,14,21H,9,20H2
InChIKeyVUEGWVBITWVFEV-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-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
N-(3-bromophenyl)-1-isoquinolin-4-ylethane-1,2-diamine
CID 104504152
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377367
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65377278) is N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is VUEGWVBITWVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c16-10-4-3-5-11(8-10)21-14(9-20)12-6-1-2-7-13(12)15(17,18)19/h1-8,14,21H,9,20H2.
What are the key properties of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(3-bromophenyl)-1-[2-(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-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65377278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).