4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22BrNO2 — CID 106126796

IUPAC4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Br)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-4-13(16)8-12(15)10-17-9-11-2-5-14(18)6-3-11/h4,7-8,11,14,17-18H,2-3,5-6,9-10H2,1H3
InChIKeyJAWAAIUSOHCKKH-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.10
Rot. Bonds5

About 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126796) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126796
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Br)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-4-13(16)8-12(15)10-17-9-11-2-5-14(18)6-3-11/h4,7-8,11,14,17-18H,2-3,5-6,9-10H2,1H3
InChIKeyJAWAAIUSOHCKKH-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

4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166210
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 47158153
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
3-[[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270843
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
2-[(5-bromo-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222898

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 106126796) is 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(Br)cc1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is JAWAAIUSOHCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-15-7-4-13(16)8-12(15)10-17-9-11-2-5-14(18)6-3-11/h4,7-8,11,14,17-18H,2-3,5-6,9-10H2,1H3.
What are the key properties of 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
4-[[(5-bromo-2-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 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).