[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine

C14H12BrF2NO — CID 102773521

IUPAC[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-14-3-9(7-18)1-2-10(14)8-19-13-5-11(16)4-12(17)6-13/h1-6H,7-8,18H2
InChIKeyAYCNGUNILGLKEI-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds4

About [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine

[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine (PubChem CID 102773521) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
PubChem CID102773521
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-14-3-9(7-18)1-2-10(14)8-19-13-5-11(16)4-12(17)6-13/h1-6H,7-8,18H2
InChIKeyAYCNGUNILGLKEI-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102773013
3-bromo-4-[(3,5-difluorophenoxy)methyl]benzoic acid
CID 102765519
[3-bromo-4-[(4-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107668350
[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 102773542
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
[3-bromo-4-[(2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773232

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine (CID 102773521) is [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine is NCc1ccc(COc2cc(F)cc(F)c2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is AYCNGUNILGLKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-14-3-9(7-18)1-2-10(14)8-19-13-5-11(16)4-12(17)6-13/h1-6H,7-8,18H2.
What are the key properties of [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine?
[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 328.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 102773521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).