2-bromo-5-chloro-N-undecan-6-ylaniline

C17H27BrClN — CID 81264421

IUPAC2-bromo-5-chloro-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C17H27BrClN/c1-3-5-7-9-15(10-8-6-4-2)20-17-13-14(19)11-12-16(17)18/h11-13,15,20H,3-10H2,1-2H3
InChIKeyVXMSLRYLRCBQMS-UHFFFAOYSA-N
MW360.77 g/mol
LogP7.04
Rot. Bonds10

About 2-bromo-5-chloro-N-undecan-6-ylaniline

2-bromo-5-chloro-N-undecan-6-ylaniline (PubChem CID 81264421) has the molecular formula C17H27BrClN and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-undecan-6-ylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-undecan-6-ylaniline
PubChem CID81264421
Molecular FormulaC17H27BrClN
Molecular Weight360.77 g/mol
Exact Mass359.10
IUPAC Name2-bromo-5-chloro-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C17H27BrClN/c1-3-5-7-9-15(10-8-6-4-2)20-17-13-14(19)11-12-16(17)18/h11-13,15,20H,3-10H2,1-2H3
InChIKeyVXMSLRYLRCBQMS-UHFFFAOYSA-N
XLogP7.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.77
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-heptan-4-ylaniline
CID 81264426
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540
4-chloro-2-(octan-4-ylamino)benzonitrile
CID 106024537
4-bromo-2-methyl-N-undecan-6-ylaniline
CID 63419193
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
CID 107992534
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
2-(2-bromoanilino)octan-1-ol
CID 61050635
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-undecan-6-ylaniline?
The IUPAC name of 2-bromo-5-chloro-N-undecan-6-ylaniline (CID 81264421) is 2-bromo-5-chloro-N-undecan-6-ylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-undecan-6-ylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-undecan-6-ylaniline is CCCCCC(CCCCC)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-undecan-6-ylaniline?
The InChIKey is VXMSLRYLRCBQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrClN/c1-3-5-7-9-15(10-8-6-4-2)20-17-13-14(19)11-12-16(17)18/h11-13,15,20H,3-10H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-undecan-6-ylaniline?
2-bromo-5-chloro-N-undecan-6-ylaniline has a molecular weight of 360.77 g/mol, XLogP of 7.04, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-undecan-6-ylaniline is sourced from PubChem (CID 81264421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).