6-bromonaphthalen-2-ol;N-methylpropan-1-amine

C14H18BrNO — CID 123502448

IUPAC6-bromonaphthalen-2-ol;N-methylpropan-1-amine
SMILESCCCNC.Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C10H7BrO.C4H11N/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-3-4-5-2/h1-6,12H;5H,3-4H2,1-2H3
InChIKeyCUEKGUMLVJXBMG-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.92
Rot. Bonds2

About 6-bromonaphthalen-2-ol;N-methylpropan-1-amine

6-bromonaphthalen-2-ol;N-methylpropan-1-amine (PubChem CID 123502448) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-bromonaphthalen-2-ol;N-methylpropan-1-amine.

Molecular Properties

Compound Name6-bromonaphthalen-2-ol;N-methylpropan-1-amine
PubChem CID123502448
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name6-bromonaphthalen-2-ol;N-methylpropan-1-amine
SMILESCCCNC.Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C10H7BrO.C4H11N/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-3-4-5-2/h1-6,12H;5H,3-4H2,1-2H3
InChIKeyCUEKGUMLVJXBMG-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
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2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103066721
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CID 115353690
2-bromo-7-ethoxynaphthalene
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7-fluoro-6-propylnaphthalen-2-ol
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2-bromonaphthalene;phenol
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N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
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CID 115814812

Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalen-2-ol;N-methylpropan-1-amine?
The IUPAC name of 6-bromonaphthalen-2-ol;N-methylpropan-1-amine (CID 123502448) is 6-bromonaphthalen-2-ol;N-methylpropan-1-amine.
What is the SMILES notation for 6-bromonaphthalen-2-ol;N-methylpropan-1-amine?
The canonical SMILES for 6-bromonaphthalen-2-ol;N-methylpropan-1-amine is CCCNC.Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromonaphthalen-2-ol;N-methylpropan-1-amine?
The InChIKey is CUEKGUMLVJXBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO.C4H11N/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-3-4-5-2/h1-6,12H;5H,3-4H2,1-2H3.
What are the key properties of 6-bromonaphthalen-2-ol;N-methylpropan-1-amine?
6-bromonaphthalen-2-ol;N-methylpropan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromonaphthalen-2-ol;N-methylpropan-1-amine is sourced from PubChem (CID 123502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).