[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine

C14H13BrFNO — CID 82828276

IUPAC[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C14H13BrFNO/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7H,8-9,17H2
InChIKeyNGUQFXLFANKPSB-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.63
Rot. Bonds4

About [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine

[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 82828276) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
PubChem CID82828276
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C14H13BrFNO/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7H,8-9,17H2
InChIKeyNGUQFXLFANKPSB-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine (CID 82828276) is [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine is NCc1ccc(OCc2ccccc2Br)c(F)c1.
What is the InChIKey of [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is NGUQFXLFANKPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7H,8-9,17H2.
What are the key properties of [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine?
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 82828276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).