4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline

C16H16BrCl2N — CID 63425141

IUPAC4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C16H16BrCl2N/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10,20H,9H2,1-2H3
InChIKeyUKHILMAKZKJHMT-UHFFFAOYSA-N
MW373.12 g/mol
LogP6.49
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline

4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 63425141) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID63425141
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1
InChIInChI=1S/C16H16BrCl2N/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10,20H,9H2,1-2H3
InChIKeyUKHILMAKZKJHMT-UHFFFAOYSA-N
XLogP6.49
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 ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
CID 63425134
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
N-[(3-bromophenyl)methyl]-4-propan-2-ylaniline
CID 29276780
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 63425141) is 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline is CC(C)c1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is UKHILMAKZKJHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline?
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 373.12 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 63425141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).