N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline

C16H16BrCl2NO — CID 65468190

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
SMILESCCCOc1ccc(Br)cc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-2-8-21-15-7-6-12(17)9-11(15)10-20-16-13(18)4-3-5-14(16)19/h3-7,9,20H,2,8,10H2,1H3
InChIKeyYOJVBLUAZSVJOF-UHFFFAOYSA-N
MW389.12 g/mol
LogP6.16
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline

N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline (PubChem CID 65468190) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
PubChem CID65468190
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
SMILESCCCOc1ccc(Br)cc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-2-8-21-15-7-6-12(17)9-11(15)10-20-16-13(18)4-3-5-14(16)19/h3-7,9,20H,2,8,10H2,1H3
InChIKeyYOJVBLUAZSVJOF-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66253441
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
N-[(5-bromo-2-propoxyphenyl)methyl]-3-ethynylaniline
CID 43755451
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768809
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
N-[(5-bromo-2-propoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785187

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline (CID 65468190) is N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline is CCCOc1ccc(Br)cc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline?
The InChIKey is YOJVBLUAZSVJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-2-8-21-15-7-6-12(17)9-11(15)10-20-16-13(18)4-3-5-14(16)19/h3-7,9,20H,2,8,10H2,1H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline?
N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline has a molecular weight of 389.12 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 65468190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).