2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol

C15H22BrNO2 — CID 65117949

IUPAC2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCC(O)(CNCc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2/c1-11-4-6-15(19,7-5-11)10-17-9-12-2-3-14(18)13(16)8-12/h2-3,8,11,17-19H,4-7,9-10H2,1H3
InChIKeyPVVDZHVMUHLQLF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol

2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 65117949) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID65117949
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCC(O)(CNCc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2/c1-11-4-6-15(19,7-5-11)10-17-9-12-2-3-14(18)13(16)8-12/h2-3,8,11,17-19H,4-7,9-10H2,1H3
InChIKeyPVVDZHVMUHLQLF-UHFFFAOYSA-N
XLogP3.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
1-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115129
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
2-bromo-4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 80723443
3-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]benzoic acid
CID 103253182
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol (CID 65117949) is 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol is CC1CCC(O)(CNCc2ccc(O)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is PVVDZHVMUHLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11-4-6-15(19,7-5-11)10-17-9-12-2-3-14(18)13(16)8-12/h2-3,8,11,17-19H,4-7,9-10H2,1H3.
What are the key properties of 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol?
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 328.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 65117949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).