4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol

C10H14BrNO2 — CID 84806422

IUPAC4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
SMILESCc1cc(CCCN)c(O)c(Br)c1O
InChIInChI=1S/C10H14BrNO2/c1-6-5-7(3-2-4-12)10(14)8(11)9(6)13/h5,13-14H,2-4,12H2,1H3
InChIKeyZCYGBSNIOVGRTK-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.06
Rot. Bonds3

About 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol

4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol (PubChem CID 84806422) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
PubChem CID84806422
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
SMILESCc1cc(CCCN)c(O)c(Br)c1O
InChIInChI=1S/C10H14BrNO2/c1-6-5-7(3-2-4-12)10(14)8(11)9(6)13/h5,13-14H,2-4,12H2,1H3
InChIKeyZCYGBSNIOVGRTK-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
4-amino-2-bromo-6-hexylbenzene-1,3-diol;hydrobromide
CID 3031772
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol?
The IUPAC name of 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol (CID 84806422) is 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol is Cc1cc(CCCN)c(O)c(Br)c1O.
What is the InChIKey of 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol?
The InChIKey is ZCYGBSNIOVGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-5-7(3-2-4-12)10(14)8(11)9(6)13/h5,13-14H,2-4,12H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol?
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol has a molecular weight of 260.13 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol is sourced from PubChem (CID 84806422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).