[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine

C14H12BrCl2NO — CID 65318162

IUPAC[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(16)2-3-13(10)17/h1-6H,7-8,18H2
InChIKeyYBWDUGQAACAVAX-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.79
Rot. Bonds4

About [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine

[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine (PubChem CID 65318162) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
PubChem CID65318162
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(16)2-3-13(10)17/h1-6H,7-8,18H2
InChIKeyYBWDUGQAACAVAX-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 102947100
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine (CID 65318162) is [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine is NCc1cc(Br)ccc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine?
The InChIKey is YBWDUGQAACAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(16)2-3-13(10)17/h1-6H,7-8,18H2.
What are the key properties of [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 65318162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).