2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine

C15H23NO2 — CID 113357130

IUPAC2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOc1ccc(OCCNC(C)(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,12-4-5-12)16-10-11-18-14-8-6-13(17-3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyYENBMDACBLBPTN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds7

About 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine

2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine (PubChem CID 113357130) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
PubChem CID113357130
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOc1ccc(OCCNC(C)(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,12-4-5-12)16-10-11-18-14-8-6-13(17-3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyYENBMDACBLBPTN-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
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]-3-methylpentan-3-amine
CID 113253720
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021772
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine (CID 113357130) is 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine is COc1ccc(OCCNC(C)(C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The InChIKey is YENBMDACBLBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,12-4-5-12)16-10-11-18-14-8-6-13(17-3)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 113357130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).