2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline

C17H18BrClFN — CID 107610073

IUPAC2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrClFN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3
InChIKeySXOBBFLYEKYOON-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.37
Rot. Bonds5

About 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline

2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline (PubChem CID 107610073) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
PubChem CID107610073
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrClFN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3
InChIKeySXOBBFLYEKYOON-UHFFFAOYSA-N
XLogP6.37
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 ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
CID 83074821
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
CID 83081335
3-(2-bromo-6-chloro-4-fluoroanilino)-3-phenylpropanenitrile
CID 107611520
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline (CID 107610073) is 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline is CCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The InChIKey is SXOBBFLYEKYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3.
What are the key properties of 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline has a molecular weight of 370.69 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline is sourced from PubChem (CID 107610073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).