2-bromo-5-butylaniline

C10H14BrN — CID 130156190

IUPAC2-bromo-5-butylaniline
SMILESCCCCc1ccc(Br)c(N)c1
InChIInChI=1S/C10H14BrN/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,12H2,1H3
InChIKeyXFLAMHIKEKCNFI-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.37
Rot. Bonds3

About 2-bromo-5-butylaniline

2-bromo-5-butylaniline (PubChem CID 130156190) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-5-butylaniline.

Molecular Properties

Compound Name2-bromo-5-butylaniline
PubChem CID130156190
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-5-butylaniline
SMILESCCCCc1ccc(Br)c(N)c1
InChIInChI=1S/C10H14BrN/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,12H2,1H3
InChIKeyXFLAMHIKEKCNFI-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminobutyl)-2-bromoaniline
CID 117115644
2-bromo-5-ethylaniline;hydrochloride
CID 126796901
1,2-dibromo-4-hexylbenzene
CID 54422362
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
4-heptyl-2-methylaniline
CID 23348805
methyl 3-(3-amino-4-bromophenyl)propanoate
CID 84709341
2-fluoro-4-pentylaniline
CID 146198864
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-bromo-5-(3-phenylpropoxymethyl)aniline
CID 115557539
2-butyl-6-propylnaphthalene
CID 58232616
4-bromo-2-(4-butylphenoxy)-5-fluoroaniline
CID 116736553
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butylaniline?
The IUPAC name of 2-bromo-5-butylaniline (CID 130156190) is 2-bromo-5-butylaniline.
What is the SMILES notation for 2-bromo-5-butylaniline?
The canonical SMILES for 2-bromo-5-butylaniline is CCCCc1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-butylaniline?
The InChIKey is XFLAMHIKEKCNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,12H2,1H3.
What are the key properties of 2-bromo-5-butylaniline?
2-bromo-5-butylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butylaniline is sourced from PubChem (CID 130156190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).