3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22BrNO2 — CID 103828009

IUPAC3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Br)c(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-5-6-15(16)12(8-14)10-17-9-11-3-2-4-13(18)7-11/h5-6,8,11,13,17-18H,2-4,7,9-10H2,1H3
InChIKeyVHULIABTVIRYLR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.10
Rot. Bonds5

About 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103828009) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103828009
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Br)c(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-5-6-15(16)12(8-14)10-17-9-11-3-2-4-13(18)7-11/h5-6,8,11,13,17-18H,2-4,7,9-10H2,1H3
InChIKeyVHULIABTVIRYLR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004445
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
N-[(2-bromo-5-methoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527878

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103828009) is 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(Br)c(CNCC2CCCC(O)C2)c1.
What is the InChIKey of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is VHULIABTVIRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-14-5-6-15(16)12(8-14)10-17-9-11-3-2-4-13(18)7-11/h5-6,8,11,13,17-18H,2-4,7,9-10H2,1H3.
What are the key properties of 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103828009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).