5-(2-aminobutyl)-4-bromo-2-methoxyphenol

C11H16BrNO2 — CID 170888665

IUPAC5-(2-aminobutyl)-4-bromo-2-methoxyphenol
SMILESCCC(N)Cc1cc(O)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-3-8(13)4-7-5-10(14)11(15-2)6-9(7)12/h5-6,8,14H,3-4,13H2,1-2H3
InChIKeyMCCPZDVXUKEEQZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.44
Rot. Bonds4

About 5-(2-aminobutyl)-4-bromo-2-methoxyphenol

5-(2-aminobutyl)-4-bromo-2-methoxyphenol (PubChem CID 170888665) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-(2-aminobutyl)-4-bromo-2-methoxyphenol.

Molecular Properties

Compound Name5-(2-aminobutyl)-4-bromo-2-methoxyphenol
PubChem CID170888665
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-(2-aminobutyl)-4-bromo-2-methoxyphenol
SMILESCCC(N)Cc1cc(O)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-3-8(13)4-7-5-10(14)11(15-2)6-9(7)12/h5-6,8,14H,3-4,13H2,1-2H3
InChIKeyMCCPZDVXUKEEQZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
CID 170889165
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide
CID 11003750
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride
CID 170890743

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-4-bromo-2-methoxyphenol?
The IUPAC name of 5-(2-aminobutyl)-4-bromo-2-methoxyphenol (CID 170888665) is 5-(2-aminobutyl)-4-bromo-2-methoxyphenol.
What is the SMILES notation for 5-(2-aminobutyl)-4-bromo-2-methoxyphenol?
The canonical SMILES for 5-(2-aminobutyl)-4-bromo-2-methoxyphenol is CCC(N)Cc1cc(O)c(OC)cc1Br.
What is the InChIKey of 5-(2-aminobutyl)-4-bromo-2-methoxyphenol?
The InChIKey is MCCPZDVXUKEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-8(13)4-7-5-10(14)11(15-2)6-9(7)12/h5-6,8,14H,3-4,13H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-4-bromo-2-methoxyphenol?
5-(2-aminobutyl)-4-bromo-2-methoxyphenol has a molecular weight of 274.16 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-4-bromo-2-methoxyphenol is sourced from PubChem (CID 170888665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).