1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol

C17H27NO3 — CID 65208254

IUPAC1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCNC(C)c1ccc(OCC2(O)CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-13(18-2)14-7-8-15(16(11-14)20-3)21-12-17(19)9-5-4-6-10-17/h7-8,11,13,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyYSKDHMMATRQOMW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.05
Rot. Bonds6

About 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol

1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208254) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208254
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCNC(C)c1ccc(OCC2(O)CCCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-13(18-2)14-7-8-15(16(11-14)20-3)21-12-17(19)9-5-4-6-10-17/h7-8,11,13,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyYSKDHMMATRQOMW-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 82000030
1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
CID 110905199
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208254) is 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is CNC(C)c1ccc(OCC2(O)CCCCC2)c(OC)c1.
What is the InChIKey of 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is YSKDHMMATRQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-2)14-7-8-15(16(11-14)20-3)21-12-17(19)9-5-4-6-10-17/h7-8,11,13,18-19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).