N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

C15H12BrF4N — CID 103302801

IUPACN-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-8(16)5-11(9)17)10-6-13(19)14(20)7-12(10)18/h3-7,15,21H,2H2,1H3
InChIKeyJZIAOAXICGCXMH-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.70
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 103302801) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID103302801
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-8(16)5-11(9)17)10-6-13(19)14(20)7-12(10)18/h3-7,15,21H,2H2,1H3
InChIKeyJZIAOAXICGCXMH-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(3-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302655
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(3-bromo-2-methylphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302512
N-[(4-bromo-2-fluorophenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 55196270
N-[(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]ethanamine
CID 105399047
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (CID 103302801) is N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1F)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is JZIAOAXICGCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-8(16)5-11(9)17)10-6-13(19)14(20)7-12(10)18/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 362.16 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103302801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).