1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine

C17H18BrF2N — CID 105412567

IUPAC1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(13-4-5-16(18)11(2)6-13)9-12-7-14(19)10-15(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyBOGFNOHUZYDZGK-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine

1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105412567) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
PubChem CID105412567
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(13-4-5-16(18)11(2)6-13)9-12-7-14(19)10-15(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyBOGFNOHUZYDZGK-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
[1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413062
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
[1-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286334
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine (CID 105412567) is 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is BOGFNOHUZYDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-3-21-17(13-4-5-16(18)11(2)6-13)9-12-7-14(19)10-15(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 354.24 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105412567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).