4-(6-bromohexoxy)-N-(4-bromophenyl)aniline

C18H21Br2NO — CID 174759190

IUPAC4-(6-bromohexoxy)-N-(4-bromophenyl)aniline
SMILESBrCCCCCCOc1ccc(Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21Br2NO/c19-13-3-1-2-4-14-22-18-11-9-17(10-12-18)21-16-7-5-15(20)6-8-16/h5-12,21H,1-4,13-14H2
InChIKeyYIQNZHCOMUWLHJ-UHFFFAOYSA-N
MW427.18 g/mol
LogP6.53
Rot. Bonds9

About 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline

4-(6-bromohexoxy)-N-(4-bromophenyl)aniline (PubChem CID 174759190) has the molecular formula C18H21Br2NO and a molecular weight of 427.18 g/mol. Its IUPAC name is 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline.

Molecular Properties

Compound Name4-(6-bromohexoxy)-N-(4-bromophenyl)aniline
PubChem CID174759190
Molecular FormulaC18H21Br2NO
Molecular Weight427.18 g/mol
Exact Mass425.00
IUPAC Name4-(6-bromohexoxy)-N-(4-bromophenyl)aniline
SMILESBrCCCCCCOc1ccc(Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21Br2NO/c19-13-3-1-2-4-14-22-18-11-9-17(10-12-18)21-16-7-5-15(20)6-8-16/h5-12,21H,1-4,13-14H2
InChIKeyYIQNZHCOMUWLHJ-UHFFFAOYSA-N
XLogP6.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.18
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
CID 147476993
CID 147476993
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
1-(5-bromopentoxy)-4-(4-hexoxyphenyl)benzene
CID 102394345
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline?
The IUPAC name of 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline (CID 174759190) is 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline.
What is the SMILES notation for 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline?
The canonical SMILES for 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline is BrCCCCCCOc1ccc(Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline?
The InChIKey is YIQNZHCOMUWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NO/c19-13-3-1-2-4-14-22-18-11-9-17(10-12-18)21-16-7-5-15(20)6-8-16/h5-12,21H,1-4,13-14H2.
What are the key properties of 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline?
4-(6-bromohexoxy)-N-(4-bromophenyl)aniline has a molecular weight of 427.18 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexoxy)-N-(4-bromophenyl)aniline is sourced from PubChem (CID 174759190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).