2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol

C15H23BrN2O2 — CID 63644353

IUPAC2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cc(Br)c(O)c(OC)c1)C1CCCNC1
InChIInChI=1S/C15H23BrN2O2/c1-3-18(12-5-4-6-17-9-12)10-11-7-13(16)15(19)14(8-11)20-2/h7-8,12,17,19H,3-6,9-10H2,1-2H3
InChIKeyYMZHOYGVZRLCAJ-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol

2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol (PubChem CID 63644353) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
PubChem CID63644353
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cc(Br)c(O)c(OC)c1)C1CCCNC1
InChIInChI=1S/C15H23BrN2O2/c1-3-18(12-5-4-6-17-9-12)10-11-7-13(16)15(19)14(8-11)20-2/h7-8,12,17,19H,3-6,9-10H2,1-2H3
InChIKeyYMZHOYGVZRLCAJ-UHFFFAOYSA-N
XLogP2.74
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
CID 104973956
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
CID 63638010
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-[(3-bromo-5-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 103351309
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300212

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol (CID 63644353) is 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol is CCN(Cc1cc(Br)c(O)c(OC)c1)C1CCCNC1.
What is the InChIKey of 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The InChIKey is YMZHOYGVZRLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-18(12-5-4-6-17-9-12)10-11-7-13(16)15(19)14(8-11)20-2/h7-8,12,17,19H,3-6,9-10H2,1-2H3.
What are the key properties of 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol has a molecular weight of 343.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 63644353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).