2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol

C15H25BrN2O2 — CID 82978596

IUPAC2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
SMILESCCCN(CCN(C)C)Cc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H25BrN2O2/c1-5-6-18(8-7-17(2)3)11-12-9-13(16)15(19)14(10-12)20-4/h9-10,19H,5-8,11H2,1-4H3
InChIKeyVFYRXGPSOBOZRM-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.94
Rot. Bonds8

About 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol

2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol (PubChem CID 82978596) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
PubChem CID82978596
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
SMILESCCCN(CCN(C)C)Cc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H25BrN2O2/c1-5-6-18(8-7-17(2)3)11-12-9-13(16)15(19)14(10-12)20-4/h9-10,19H,5-8,11H2,1-4H3
InChIKeyVFYRXGPSOBOZRM-UHFFFAOYSA-N
XLogP2.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
CID 82958008
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
4-[[2-(dimethylamino)ethyl-propylamino]methyl]-2-methoxybenzenecarbothioamide
CID 106788847
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-tert-butylamino]propanoic acid
CID 65058326
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid
CID 519805

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol (CID 82978596) is 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol is CCCN(CCN(C)C)Cc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol?
The InChIKey is VFYRXGPSOBOZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-5-6-18(8-7-17(2)3)11-12-9-13(16)15(19)14(10-12)20-4/h9-10,19H,5-8,11H2,1-4H3.
What are the key properties of 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol?
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol has a molecular weight of 345.28 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 82978596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).