4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol

C13H18BrNO2 — CID 103668553

IUPAC4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol
SMILESOc1ccc(Br)cc1CNC1CCCCC1O
InChIInChI=1S/C13H18BrNO2/c14-10-5-6-12(16)9(7-10)8-15-11-3-1-2-4-13(11)17/h5-7,11,13,15-17H,1-4,8H2
InChIKeyRFBLQIVHVSFNKX-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol

4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol (PubChem CID 103668553) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol
PubChem CID103668553
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol
SMILESOc1ccc(Br)cc1CNC1CCCCC1O
InChIInChI=1S/C13H18BrNO2/c14-10-5-6-12(16)9(7-10)8-15-11-3-1-2-4-13(11)17/h5-7,11,13,15-17H,1-4,8H2
InChIKeyRFBLQIVHVSFNKX-UHFFFAOYSA-N
XLogP2.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[[[3,5-bis[(5-bromo-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]-4-bromophenol
CID 177414869
4-bromo-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693409
4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696439
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
4-bromo-2-[[(3-ethylcyclohexyl)amino]methyl]phenol
CID 107737894
4-bromo-2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 103702367
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol (CID 103668553) is 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol is Oc1ccc(Br)cc1CNC1CCCCC1O.
What is the InChIKey of 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol?
The InChIKey is RFBLQIVHVSFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-10-5-6-12(16)9(7-10)8-15-11-3-1-2-4-13(11)17/h5-7,11,13,15-17H,1-4,8H2.
What are the key properties of 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol?
4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 103668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).