1-bromo-6-(methylaminomethyl)naphthalen-2-ol

C12H12BrNO — CID 69137575

IUPAC1-bromo-6-(methylaminomethyl)naphthalen-2-ol
SMILESCNCc1ccc2c(Br)c(O)ccc2c1
InChIInChI=1S/C12H12BrNO/c1-14-7-8-2-4-10-9(6-8)3-5-11(15)12(10)13/h2-6,14-15H,7H2,1H3
InChIKeyLSKJXZVSJZDPIP-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.03
Rot. Bonds2

About 1-bromo-6-(methylaminomethyl)naphthalen-2-ol

1-bromo-6-(methylaminomethyl)naphthalen-2-ol (PubChem CID 69137575) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-bromo-6-(methylaminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-bromo-6-(methylaminomethyl)naphthalen-2-ol
PubChem CID69137575
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-bromo-6-(methylaminomethyl)naphthalen-2-ol
SMILESCNCc1ccc2c(Br)c(O)ccc2c1
InChIInChI=1S/C12H12BrNO/c1-14-7-8-2-4-10-9(6-8)3-5-11(15)12(10)13/h2-6,14-15H,7H2,1H3
InChIKeyLSKJXZVSJZDPIP-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-ethoxy-4-(methylaminomethyl)phenol
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1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
CID 160998401
1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
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N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(7-heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,7,10,13(23),14,16,18,20(24),21,25-tridecaenyl)-N-methylmethanamine
CID 123545361
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CID 114062856

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(methylaminomethyl)naphthalen-2-ol?
The IUPAC name of 1-bromo-6-(methylaminomethyl)naphthalen-2-ol (CID 69137575) is 1-bromo-6-(methylaminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-bromo-6-(methylaminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-bromo-6-(methylaminomethyl)naphthalen-2-ol is CNCc1ccc2c(Br)c(O)ccc2c1.
What is the InChIKey of 1-bromo-6-(methylaminomethyl)naphthalen-2-ol?
The InChIKey is LSKJXZVSJZDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-14-7-8-2-4-10-9(6-8)3-5-11(15)12(10)13/h2-6,14-15H,7H2,1H3.
What are the key properties of 1-bromo-6-(methylaminomethyl)naphthalen-2-ol?
1-bromo-6-(methylaminomethyl)naphthalen-2-ol has a molecular weight of 266.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(methylaminomethyl)naphthalen-2-ol is sourced from PubChem (CID 69137575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).