2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol

C15H22BrNO2 — CID 81394414

IUPAC2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCC2)cc(Br)c1O
InChIInChI=1S/C15H22BrNO2/c1-10(12-5-3-4-6-12)17-9-11-7-13(16)15(18)14(8-11)19-2/h7-8,10,12,17-18H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeySGIREQSAJGOUCT-SNVBAGLBSA-N
MW328.25 g/mol
LogP3.83
Rot. Bonds5

About 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol

2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol (PubChem CID 81394414) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
PubChem CID81394414
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCC2)cc(Br)c1O
InChIInChI=1S/C15H22BrNO2/c1-10(12-5-3-4-6-12)17-9-11-7-13(16)15(18)14(8-11)19-2/h7-8,10,12,17-18H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeySGIREQSAJGOUCT-SNVBAGLBSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[[[(1R)-1-cyclopentylethyl]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

(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol (CID 81394414) is 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol is COc1cc(CN[C@H](C)C2CCCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol?
The InChIKey is SGIREQSAJGOUCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(12-5-3-4-6-12)17-9-11-7-13(16)15(18)14(8-11)19-2/h7-8,10,12,17-18H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol?
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol has a molecular weight of 328.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 81394414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).