[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine

C14H11BrCl2FNO — CID 107656480

IUPAC[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1COc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c15-11-4-13(17)14(5-12(11)16)20-7-8-1-2-10(18)3-9(8)6-19/h1-5H,6-7,19H2
InChIKeyBKGRWTQIEMBYSO-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.93
Rot. Bonds4

About [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine

[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine (PubChem CID 107656480) has the molecular formula C14H11BrCl2FNO and a molecular weight of 379.06 g/mol. Its IUPAC name is [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
PubChem CID107656480
Molecular FormulaC14H11BrCl2FNO
Molecular Weight379.06 g/mol
Exact Mass376.94
IUPAC Name[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1COc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c15-11-4-13(17)14(5-12(11)16)20-7-8-1-2-10(18)3-9(8)6-19/h1-5H,6-7,19H2
InChIKeyBKGRWTQIEMBYSO-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656471
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine (CID 107656480) is [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1COc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine?
The InChIKey is BKGRWTQIEMBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO/c15-11-4-13(17)14(5-12(11)16)20-7-8-1-2-10(18)3-9(8)6-19/h1-5H,6-7,19H2.
What are the key properties of [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine?
[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine has a molecular weight of 379.06 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107656480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).