2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol

C14H21Br2NO2 — CID 107740294

IUPAC2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
SMILESCCC(C)N(CCOC)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H21Br2NO2/c1-4-10(2)17(5-6-19-3)9-11-7-12(15)14(18)13(16)8-11/h7-8,10,18H,4-6,9H2,1-3H3
InChIKeyNSUIRBSFTXOZLQ-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.16
Rot. Bonds7

About 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol

2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol (PubChem CID 107740294) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
PubChem CID107740294
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
SMILESCCC(C)N(CCOC)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H21Br2NO2/c1-4-10(2)17(5-6-19-3)9-11-7-12(15)14(18)13(16)8-11/h7-8,10,18H,4-6,9H2,1-3H3
InChIKeyNSUIRBSFTXOZLQ-UHFFFAOYSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
5-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880751
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol (CID 107740294) is 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol is CCC(C)N(CCOC)Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The InChIKey is NSUIRBSFTXOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-4-10(2)17(5-6-19-3)9-11-7-12(15)14(18)13(16)8-11/h7-8,10,18H,4-6,9H2,1-3H3.
What are the key properties of 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol has a molecular weight of 395.14 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol is sourced from PubChem (CID 107740294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).