2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol

C16H25NO2 — CID 60879313

IUPAC2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
SMILESCCNCc1cc(C)c(OC2CCCC2O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-4-17-10-13-8-11(2)16(12(3)9-13)19-15-7-5-6-14(15)18/h8-9,14-15,17-18H,4-7,10H2,1-3H3
InChIKeyOPPVMZRZMODIAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol

2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol (PubChem CID 60879313) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
PubChem CID60879313
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
SMILESCCNCc1cc(C)c(OC2CCCC2O)c(C)c1
InChIInChI=1S/C16H25NO2/c1-4-17-10-13-8-11(2)16(12(3)9-13)19-15-7-5-6-14(15)18/h8-9,14-15,17-18H,4-7,10H2,1-3H3
InChIKeyOPPVMZRZMODIAP-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60879504
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 79882722
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 112620098
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cycloheptan-1-ol
CID 115961027
2-[4-bromo-2-[(cyclopropylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961626
[4-(2-ethylcyclohexyl)oxy-3,5-dimethylphenyl]methanol
CID 63862685
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961778
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol (CID 60879313) is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol is CCNCc1cc(C)c(OC2CCCC2O)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol?
The InChIKey is OPPVMZRZMODIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-10-13-8-11(2)16(12(3)9-13)19-15-7-5-6-14(15)18/h8-9,14-15,17-18H,4-7,10H2,1-3H3.
What are the key properties of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol?
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60879313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).