2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol

C14H22BrNO2 — CID 82985781

IUPAC2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
SMILESCCC(C)N(CCOC)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-4-11(2)16(7-8-18-3)10-12-5-6-14(17)13(15)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyJTKUVJRLWRLDOL-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.40
Rot. Bonds7

About 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol

2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol (PubChem CID 82985781) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
PubChem CID82985781
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
SMILESCCC(C)N(CCOC)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-4-11(2)16(7-8-18-3)10-12-5-6-14(17)13(15)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyJTKUVJRLWRLDOL-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
2-bromo-4-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82979793
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-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
5-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880751

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol (CID 82985781) is 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol is CCC(C)N(CCOC)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
The InChIKey is JTKUVJRLWRLDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-11(2)16(7-8-18-3)10-12-5-6-14(17)13(15)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol?
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol has a molecular weight of 316.24 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol is sourced from PubChem (CID 82985781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).