N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine

C15H14BrF2N — CID 66423459

IUPACN-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(10-4-3-5-13(17)7-10)11-6-12(16)9-14(18)8-11/h3-9,15,19H,2H2,1H3
InChIKeyHSLFBCSKDBYVDZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.43
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 66423459) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID66423459
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(10-4-3-5-13(17)7-10)11-6-12(16)9-14(18)8-11/h3-9,15,19H,2H2,1H3
InChIKeyHSLFBCSKDBYVDZ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine (CID 66423459) is N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is HSLFBCSKDBYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-19-15(10-4-3-5-13(17)7-10)11-6-12(16)9-14(18)8-11/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 66423459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).