1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol

C17H27NO3 — CID 63362793

IUPAC1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-20-15-8-7-14(16(11-15)21-2)12-18-13-17(19)9-5-3-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyANLZNCDCXUEBGE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds6

About 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol

1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 63362793) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID63362793
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-20-15-8-7-14(16(11-15)21-2)12-18-13-17(19)9-5-3-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyANLZNCDCXUEBGE-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696225
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267384
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol (CID 63362793) is 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol is COc1ccc(CNCC2(O)CCCCCC2)c(OC)c1.
What is the InChIKey of 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is ANLZNCDCXUEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-20-15-8-7-14(16(11-15)21-2)12-18-13-17(19)9-5-3-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 63362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).