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

C17H18BrF2N — CID 81459580

IUPAC1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(13-6-4-11(2)14(18)10-13)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyIWHCYISATXTTQN-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.93
Rot. Bonds5

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

1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine (PubChem CID 81459580) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
PubChem CID81459580
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H18BrF2N/c1-3-21-17(13-6-4-11(2)14(18)10-13)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyIWHCYISATXTTQN-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

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine (CID 81459580) is 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(F)c1)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is IWHCYISATXTTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-3-21-17(13-6-4-11(2)14(18)10-13)9-12-5-7-15(19)16(20)8-12/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
1-(3-bromo-4-methylphenyl)-2-(3,4-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-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 81459580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).