2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol

C15H22BrNO3 — CID 62360308

IUPAC2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(CNC2CCCCC2O)cc(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-19-14-8-10(7-11(16)15(14)20-2)9-17-12-5-3-4-6-13(12)18/h7-8,12-13,17-18H,3-6,9H2,1-2H3
InChIKeyBZTMUSDJTAIILA-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.86
Rot. Bonds5

About 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol

2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 62360308) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID62360308
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cc(CNC2CCCCC2O)cc(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-19-14-8-10(7-11(16)15(14)20-2)9-17-12-5-3-4-6-13(12)18/h7-8,12-13,17-18H,3-6,9H2,1-2H3
InChIKeyBZTMUSDJTAIILA-UHFFFAOYSA-N
XLogP2.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylamino]cyclohexan-1-ol
CID 95336181
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832369
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]adamantan-2-amine
CID 4722276
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270665
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 62961301
(3-bromo-4,5-dimethoxyphenyl)methyl-cyclooctylazanium
CID 8620910
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol (CID 62360308) is 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol is COc1cc(CNC2CCCCC2O)cc(Br)c1OC.
What is the InChIKey of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is BZTMUSDJTAIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-19-14-8-10(7-11(16)15(14)20-2)9-17-12-5-3-4-6-13(12)18/h7-8,12-13,17-18H,3-6,9H2,1-2H3.
What are the key properties of 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 344.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62360308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).