N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C16H25NO2 — CID 79358262

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1ccc(OCCNC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)17-10-11-19-13-8-6-12(18-5)7-9-13/h6-9,14,17H,10-11H2,1-5H3
InChIKeyVRJDUFNYNUZAMV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79358262) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79358262
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1ccc(OCCNC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)17-10-11-19-13-8-6-12(18-5)7-9-13/h6-9,14,17H,10-11H2,1-5H3
InChIKeyVRJDUFNYNUZAMV-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021772
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79358262) is N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is COc1ccc(OCCNC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is VRJDUFNYNUZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)17-10-11-19-13-8-6-12(18-5)7-9-13/h6-9,14,17H,10-11H2,1-5H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79358262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).