N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline

C14H12BrF3N2 — CID 65485190

IUPACN-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline
SMILESNc1ccccc1CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2
InChIKeyJRZSHPCPKGJVCX-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.66
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline

N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline (PubChem CID 65485190) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline
PubChem CID65485190
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC NameN-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline
SMILESNc1ccccc1CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2
InChIKeyJRZSHPCPKGJVCX-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
N-[(2-aminophenyl)methyl]-3-bromo-5-(trifluoromethyl)aniline
CID 66418278
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
2-[(2-aminophenyl)methylamino]-4-bromobenzonitrile
CID 114906877
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline (CID 65485190) is N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline is Nc1ccccc1CNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline?
The InChIKey is JRZSHPCPKGJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-10-5-6-13(11(7-10)14(16,17)18)20-8-9-3-1-2-4-12(9)19/h1-7,20H,8,19H2.
What are the key properties of N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline?
N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline has a molecular weight of 345.16 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline is sourced from PubChem (CID 65485190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).