N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline

C16H16BrCl2N — CID 104726445

IUPACN-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
SMILESCCC(Nc1cc(Cl)c(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-3-15(11-4-6-12(17)7-5-11)20-16-9-13(18)10(2)8-14(16)19/h4-9,15,20H,3H2,1-2H3
InChIKeyXESMVDFTMQLQFS-UHFFFAOYSA-N
MW373.12 g/mol
LogP6.63
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline

N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline (PubChem CID 104726445) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
PubChem CID104726445
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC NameN-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
SMILESCCC(Nc1cc(Cl)c(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-3-15(11-4-6-12(17)7-5-11)20-16-9-13(18)10(2)8-14(16)19/h4-9,15,20H,3H2,1-2H3
InChIKeyXESMVDFTMQLQFS-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
CID 43689806
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
N-[1-(4-bromophenyl)propyl]-4-chloro-2-nitroaniline
CID 43218013

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline (CID 104726445) is N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline is CCC(Nc1cc(Cl)c(C)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline?
The InChIKey is XESMVDFTMQLQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-3-15(11-4-6-12(17)7-5-11)20-16-9-13(18)10(2)8-14(16)19/h4-9,15,20H,3H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline?
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline has a molecular weight of 373.12 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline is sourced from PubChem (CID 104726445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).