[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine

C14H11Br2F2NO — CID 106262960

IUPAC[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(Br)c1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11Br2F2NO/c15-10-4-5-12(17)9(13(10)18)7-20-14-8(6-19)2-1-3-11(14)16/h1-5H,6-7,19H2
InChIKeyAZSFSRYPTIBEKD-UHFFFAOYSA-N
MW407.05 g/mol
LogP4.53
Rot. Bonds4

About [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine

[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine (PubChem CID 106262960) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
PubChem CID106262960
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(Br)c1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11Br2F2NO/c15-10-4-5-12(17)9(13(10)18)7-20-14-8(6-19)2-1-3-11(14)16/h1-5H,6-7,19H2
InChIKeyAZSFSRYPTIBEKD-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 54.53
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

1-bromo-3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264502
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 106264377
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
[1-[(3-bromo-2,6-difluorophenyl)methyl]indol-4-yl]methanamine
CID 106265006
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine (CID 106262960) is [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine is NCc1cccc(Br)c1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is AZSFSRYPTIBEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c15-10-4-5-12(17)9(13(10)18)7-20-14-8(6-19)2-1-3-11(14)16/h1-5H,6-7,19H2.
What are the key properties of [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 407.05 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106262960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).