[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine

C14H12BrClFNO — CID 102663607

IUPAC[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
SMILESNCc1ccc(COc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-12-4-3-11(17)6-14(12)19-8-10-2-1-9(7-18)5-13(10)16/h1-6H,7-8,18H2
InChIKeyQMHGISQOIKDCEL-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine

[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine (PubChem CID 102663607) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
PubChem CID102663607
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
SMILESNCc1ccc(COc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-12-4-3-11(17)6-14(12)19-8-10-2-1-9(7-18)5-13(10)16/h1-6H,7-8,18H2
InChIKeyQMHGISQOIKDCEL-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656480
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine?
The IUPAC name of [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine (CID 102663607) is [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine?
The canonical SMILES for [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine is NCc1ccc(COc2cc(F)ccc2Br)c(Cl)c1.
What is the InChIKey of [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine?
The InChIKey is QMHGISQOIKDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-12-4-3-11(17)6-14(12)19-8-10-2-1-9(7-18)5-13(10)16/h1-6H,7-8,18H2.
What are the key properties of [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine?
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine is sourced from PubChem (CID 102663607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).