1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine

C10H13BrFNO — CID 83902054

IUPAC1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine
SMILESCCOc1c(CNC)ccc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-3-14-10-7(6-13-2)4-5-8(12)9(10)11/h4-5,13H,3,6H2,1-2H3
InChIKeyOZUPMVAQEXBYLH-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine

1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine (PubChem CID 83902054) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine
PubChem CID83902054
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine
SMILESCCOc1c(CNC)ccc(F)c1Br
InChIInChI=1S/C10H13BrFNO/c1-3-14-10-7(6-13-2)4-5-8(12)9(10)11/h4-5,13H,3,6H2,1-2H3
InChIKeyOZUPMVAQEXBYLH-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902051
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine
CID 83886577
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114069268
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine (CID 83902054) is 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine is CCOc1c(CNC)ccc(F)c1Br.
What is the InChIKey of 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine?
The InChIKey is OZUPMVAQEXBYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-3-14-10-7(6-13-2)4-5-8(12)9(10)11/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine?
1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 83902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).