N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

C15H12BrF4N — CID 81499504

IUPACN-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-5-10(18)14(9)16)13-11(19)6-8(17)7-12(13)20/h3-7,15,21H,2H2,1H3
InChIKeySASVSQBMSGERQA-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.70
Rot. Bonds4

About N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 81499504) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID81499504
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC NameN-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-5-10(18)14(9)16)13-11(19)6-8(17)7-12(13)20/h3-7,15,21H,2H2,1H3
InChIKeySASVSQBMSGERQA-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

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Related Compounds

N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 105399065
N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 81499504) is N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is SASVSQBMSGERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-2-21-15(9-4-3-5-10(18)14(9)16)13-11(19)6-8(17)7-12(13)20/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(2-bromo-3-fluorophenyl)-(2,4,6-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-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81499504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).