2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol

C14H22Br2N2O — CID 107740422

IUPAC2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
SMILESCCN(Cc1cc(Br)c(O)c(Br)c1)C(C)CN(C)C
InChIInChI=1S/C14H22Br2N2O/c1-5-18(10(2)8-17(3)4)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,5,8-9H2,1-4H3
InChIKeyCERBYAHPDAAASK-UHFFFAOYSA-N
MW394.15 g/mol
LogP3.69
Rot. Bonds6

About 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol

2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol (PubChem CID 107740422) has the molecular formula C14H22Br2N2O and a molecular weight of 394.15 g/mol. Its IUPAC name is 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
PubChem CID107740422
Molecular FormulaC14H22Br2N2O
Molecular Weight394.15 g/mol
Exact Mass392.01
IUPAC Name2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
SMILESCCN(Cc1cc(Br)c(O)c(Br)c1)C(C)CN(C)C
InChIInChI=1S/C14H22Br2N2O/c1-5-18(10(2)8-17(3)4)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,5,8-9H2,1-4H3
InChIKeyCERBYAHPDAAASK-UHFFFAOYSA-N
XLogP3.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol with MolForge

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Related Compounds

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190706
2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189441
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
CID 103188929
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
2-N-[(5-bromo-2-pyridinyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190702
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol (CID 107740422) is 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol is CCN(Cc1cc(Br)c(O)c(Br)c1)C(C)CN(C)C.
What is the InChIKey of 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The InChIKey is CERBYAHPDAAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2O/c1-5-18(10(2)8-17(3)4)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,5,8-9H2,1-4H3.
What are the key properties of 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol has a molecular weight of 394.15 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol is sourced from PubChem (CID 107740422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).