2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22BrNO2 — CID 64929394

IUPAC2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CNCC2CCCCC2O)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-6-11(8-13(15)16)9-17-10-12-4-2-3-5-14(12)18/h6-8,12,14,17-18H,2-5,9-10H2,1H3
InChIKeyFYHLFJDTRGNATI-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.10
Rot. Bonds5

About 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64929394) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64929394
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CNCC2CCCCC2O)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-6-11(8-13(15)16)9-17-10-12-4-2-3-5-14(12)18/h6-8,12,14,17-18H,2-5,9-10H2,1H3
InChIKeyFYHLFJDTRGNATI-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

2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81039565
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
methyl 2-fluoro-4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoate
CID 106700136
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylprop-2-en-1-amine
CID 114615657
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 64929394) is 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(CNCC2CCCCC2O)cc1Br.
What is the InChIKey of 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is FYHLFJDTRGNATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-15-7-6-11(8-13(15)16)9-17-10-12-4-2-3-5-14(12)18/h6-8,12,14,17-18H,2-5,9-10H2,1H3.
What are the key properties of 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-bromo-4-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 2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).