1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine

C17H18BrClFN — CID 107884489

IUPAC1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18BrClFN/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyBYOOQUYFEJLHBG-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.00
Rot. Bonds6

About 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine

1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine (PubChem CID 107884489) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
PubChem CID107884489
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18BrClFN/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyBYOOQUYFEJLHBG-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine (CID 107884489) is 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is BYOOQUYFEJLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-21-15(9-12-3-6-14(18)7-4-12)10-13-5-8-16(19)17(20)11-13/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine?
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 370.69 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 107884489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).