2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol

C16H25NO2 — CID 104583457

IUPAC2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
SMILESCOCCC1(CNC(C)c2ccc(C)cc2O)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-5-14(15(18)10-12)13(2)17-11-16(6-7-16)8-9-19-3/h4-5,10,13,17-18H,6-9,11H2,1-3H3
InChIKeyDOGODSTZIQPXEC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds7

About 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol

2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol (PubChem CID 104583457) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
PubChem CID104583457
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
SMILESCOCCC1(CNC(C)c2ccc(C)cc2O)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-5-14(15(18)10-12)13(2)17-11-16(6-7-16)8-9-19-3/h4-5,10,13,17-18H,6-9,11H2,1-3H3
InChIKeyDOGODSTZIQPXEC-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 103903840
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 113348990
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
CID 104582510
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
CID 113383829
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol (CID 104583457) is 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol is COCCC1(CNC(C)c2ccc(C)cc2O)CC1.
What is the InChIKey of 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol?
The InChIKey is DOGODSTZIQPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-5-14(15(18)10-12)13(2)17-11-16(6-7-16)8-9-19-3/h4-5,10,13,17-18H,6-9,11H2,1-3H3.
What are the key properties of 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol?
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 104583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).