2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

C13H18BrNO2 — CID 63934114

IUPAC2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1c(Br)cccc1CNCC1(O)CCCC1
InChIInChI=1S/C13H18BrNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyLQOOXPRCDXSTCQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.55
Rot. Bonds4

About 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (PubChem CID 63934114) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
PubChem CID63934114
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1c(Br)cccc1CNCC1(O)CCCC1
InChIInChI=1S/C13H18BrNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyLQOOXPRCDXSTCQ-UHFFFAOYSA-N
XLogP2.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-bromo-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929034
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
2-bromo-6-[[(1-ethylcyclopropyl)methylamino]methyl]phenol
CID 103735468
4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzene-1,2,3-triol
CID 103953323
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (CID 63934114) is 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is Oc1c(Br)cccc1CNCC1(O)CCCC1.
What is the InChIKey of 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The InChIKey is LQOOXPRCDXSTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-5-3-4-10(12(11)16)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2.
What are the key properties of 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 63934114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).