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

C17H27NO3 — CID 111696225

IUPAC2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCOc1ccc(CNCC2(C)CCCCC2O)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-17(9-5-4-6-16(17)19)12-18-11-13-7-8-14(20-2)10-15(13)21-3/h7-8,10,16,18-19H,4-6,9,11-12H2,1-3H3
InChIKeyIUWKAVHBUXWIFU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds6

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

2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol (PubChem CID 111696225) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
PubChem CID111696225
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCOc1ccc(CNCC2(C)CCCCC2O)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-17(9-5-4-6-16(17)19)12-18-11-13-7-8-14(20-2)10-15(13)21-3/h7-8,10,16,18-19H,4-6,9,11-12H2,1-3H3
InChIKeyIUWKAVHBUXWIFU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696243
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267384
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 111696178
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol (CID 111696225) is 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol is COc1ccc(CNCC2(C)CCCCC2O)c(OC)c1.
What is the InChIKey of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol?
The InChIKey is IUWKAVHBUXWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(9-5-4-6-16(17)19)12-18-11-13-7-8-14(20-2)10-15(13)21-3/h7-8,10,16,18-19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol?
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 111696225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).