3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol

C12H18BrNO2 — CID 170865361

IUPAC3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
SMILESCOc1ccc(Br)c(CCCN(C)C)c1O
InChIInChI=1S/C12H18BrNO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeySPNZUBBAIPGSON-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.66
Rot. Bonds5

About 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol

3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol (PubChem CID 170865361) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol.

Molecular Properties

Compound Name3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
PubChem CID170865361
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
SMILESCOc1ccc(Br)c(CCCN(C)C)c1O
InChIInChI=1S/C12H18BrNO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeySPNZUBBAIPGSON-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
CID 170865553
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865608
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
CID 170865977
3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
CID 171049127
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538948
2,4-dibromo-6-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865443
(6-bromo-2-hydroxy-3-methoxyphenyl)methyl-triphenylphosphanium
CID 86655560
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
6-methoxy-3-methyl-2-propylphenol
CID 170766303

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol?
The IUPAC name of 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol (CID 170865361) is 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol.
What is the SMILES notation for 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol?
The canonical SMILES for 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol is COc1ccc(Br)c(CCCN(C)C)c1O.
What is the InChIKey of 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol?
The InChIKey is SPNZUBBAIPGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol?
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol has a molecular weight of 288.18 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol is sourced from PubChem (CID 170865361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).