(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine

C15H14BrF2NO — CID 104657273

IUPAC(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3
InChIKeyHPNKJLSRFRMWQI-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.17
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine

(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 104657273) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
PubChem CID104657273
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3
InChIKeyHPNKJLSRFRMWQI-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 104657340
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2,4-difluorobenzene
CID 104661943
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
CID 106684609
(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine (CID 104657273) is (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine is CCOc1ccc(C(N)c2ccc(F)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is HPNKJLSRFRMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine?
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine has a molecular weight of 342.18 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 104657273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).