2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol

C14H20BrNO3 — CID 43751145

IUPAC2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC2CCCC(O)C2)cc(Br)c1O
InChIInChI=1S/C14H20BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h5-6,10-11,16-18H,2-4,7-8H2,1H3
InChIKeySDVKLXURHTWZJW-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.56
Rot. Bonds4

About 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol

2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol (PubChem CID 43751145) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
PubChem CID43751145
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC2CCCC(O)C2)cc(Br)c1O
InChIInChI=1S/C14H20BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h5-6,10-11,16-18H,2-4,7-8H2,1H3
InChIKeySDVKLXURHTWZJW-UHFFFAOYSA-N
XLogP2.56
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
CID 107740875
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
2,6-dibromo-4-[[(3-methylcyclopentyl)amino]methyl]phenol
CID 107741117
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62360308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol (CID 43751145) is 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol is COc1cc(CNC2CCCC(O)C2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol?
The InChIKey is SDVKLXURHTWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-19-13-6-9(5-12(15)14(13)18)8-16-10-3-2-4-11(17)7-10/h5-6,10-11,16-18H,2-4,7-8H2,1H3.
What are the key properties of 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol?
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol has a molecular weight of 330.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43751145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).