4-(3-bromo-5-methoxyanilino)butan-1-ol

C11H16BrNO2 — CID 82868117

IUPAC4-(3-bromo-5-methoxyanilino)butan-1-ol
SMILESCOc1cc(Br)cc(NCCCCO)c1
InChIInChI=1S/C11H16BrNO2/c1-15-11-7-9(12)6-10(8-11)13-4-2-3-5-14/h6-8,13-14H,2-5H2,1H3
InChIKeyGZUDSIVAYARSJE-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.64
Rot. Bonds6

About 4-(3-bromo-5-methoxyanilino)butan-1-ol

4-(3-bromo-5-methoxyanilino)butan-1-ol (PubChem CID 82868117) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(3-bromo-5-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name4-(3-bromo-5-methoxyanilino)butan-1-ol
PubChem CID82868117
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name4-(3-bromo-5-methoxyanilino)butan-1-ol
SMILESCOc1cc(Br)cc(NCCCCO)c1
InChIInChI=1S/C11H16BrNO2/c1-15-11-7-9(12)6-10(8-11)13-4-2-3-5-14/h6-8,13-14H,2-5H2,1H3
InChIKeyGZUDSIVAYARSJE-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359
5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428
3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 82867863
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
3,5-dimethoxy-N-pentylaniline
CID 28575532
3-bromo-5-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 116615714
3-[4-[(3-bromo-5-methoxyanilino)methyl]triazol-1-yl]propan-1-ol
CID 82857842
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375
3-bromo-5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 82861158
2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methoxyanilino)butan-1-ol?
The IUPAC name of 4-(3-bromo-5-methoxyanilino)butan-1-ol (CID 82868117) is 4-(3-bromo-5-methoxyanilino)butan-1-ol.
What is the SMILES notation for 4-(3-bromo-5-methoxyanilino)butan-1-ol?
The canonical SMILES for 4-(3-bromo-5-methoxyanilino)butan-1-ol is COc1cc(Br)cc(NCCCCO)c1.
What is the InChIKey of 4-(3-bromo-5-methoxyanilino)butan-1-ol?
The InChIKey is GZUDSIVAYARSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-15-11-7-9(12)6-10(8-11)13-4-2-3-5-14/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 4-(3-bromo-5-methoxyanilino)butan-1-ol?
4-(3-bromo-5-methoxyanilino)butan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methoxyanilino)butan-1-ol is sourced from PubChem (CID 82868117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).