1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine

C17H18BrClFN — CID 63528939

IUPAC1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-8-7-12(18)9-11(13)2)10-14-15(19)5-4-6-16(14)20/h4-9,17,21H,3,10H2,1-2H3
InChIKeyCBOXPSCGBMUHPD-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.44
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine

1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine (PubChem CID 63528939) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
PubChem CID63528939
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1C
InChIInChI=1S/C17H18BrClFN/c1-3-21-17(13-8-7-12(18)9-11(13)2)10-14-15(19)5-4-6-16(14)20/h4-9,17,21H,3,10H2,1-2H3
InChIKeyCBOXPSCGBMUHPD-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
(2S)-N-[(R)-(4-bromophenyl)-(4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 69551015
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504936
N-[1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropan-2-amine
CID 117616040
(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine
CID 123921668
(1R)-2-(2-bromo-5-chlorophenyl)-1-(4-bromo-2-fluoro-6-methylphenyl)ethanamine
CID 145201841
N-[1-[3-(5-bromo-2-methylphenyl)-5-chloro-2-methylphenyl]ethenyl]-2,2-difluoroethanamine
CID 156050758
N-[[3-[(E)-2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 166519033
(2R,5S)-1-[(4-bromophenyl)-(3-chloro-4-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 170433792
N-[[3-[2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
CID 175805052
1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine
CID 155119485
(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine (CID 63528939) is 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The InChIKey is CBOXPSCGBMUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-21-17(13-8-7-12(18)9-11(13)2)10-14-15(19)5-4-6-16(14)20/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine has a molecular weight of 370.69 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).