[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine

C15H15BrFNO — CID 107879069

IUPAC[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COCc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H15BrFNO/c16-14-4-1-11(2-5-14)9-19-10-12-3-6-15(17)13(7-12)8-18/h1-7H,8-10,18H2
InChIKeyNDHMKHCERUHOJF-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.76
Rot. Bonds5

About [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine

[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine (PubChem CID 107879069) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
PubChem CID107879069
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COCc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C15H15BrFNO/c16-14-4-1-11(2-5-14)9-19-10-12-3-6-15(17)13(7-12)8-18/h1-7H,8-10,18H2
InChIKeyNDHMKHCERUHOJF-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
CID 43381965
2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
CID 82827974
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
CID 107878875

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine (CID 107879069) is [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine is NCc1cc(COCc2ccc(Br)cc2)ccc1F.
What is the InChIKey of [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine?
The InChIKey is NDHMKHCERUHOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-14-4-1-11(2-5-14)9-19-10-12-3-6-15(17)13(7-12)8-18/h1-7H,8-10,18H2.
What are the key properties of [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine?
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine has a molecular weight of 324.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).