4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline

C16H16BrCl2NO — CID 43773726

IUPAC4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1OC
InChIInChI=1S/C16H16BrCl2NO/c1-3-14(11-6-4-5-7-15(11)21-2)20-16-12(18)8-10(17)9-13(16)19/h4-9,14,20H,3H2,1-2H3
InChIKeyOJSOVVSCRUUDEZ-UHFFFAOYSA-N
MW389.12 g/mol
LogP6.33
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline

4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline (PubChem CID 43773726) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
PubChem CID43773726
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1OC
InChIInChI=1S/C16H16BrCl2NO/c1-3-14(11-6-4-5-7-15(11)21-2)20-16-12(18)8-10(17)9-13(16)19/h4-9,14,20H,3H2,1-2H3
InChIKeyOJSOVVSCRUUDEZ-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
4-bromo-2-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 63425315
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
CID 82761842
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
3-bromo-N-[1-(2-fluorophenyl)propyl]-5-methoxyaniline
CID 115994440
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline (CID 43773726) is 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline is CCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1OC.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline?
The InChIKey is OJSOVVSCRUUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-3-14(11-6-4-5-7-15(11)21-2)20-16-12(18)8-10(17)9-13(16)19/h4-9,14,20H,3H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline?
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline has a molecular weight of 389.12 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43773726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).