N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine

C15H23NO2 — CID 62712834

IUPACN-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCCOc1ccccc1C1CC1CNCCOC
InChIInChI=1S/C15H23NO2/c1-3-18-15-7-5-4-6-13(15)14-10-12(14)11-16-8-9-17-2/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyCPTRDKRWEPRZIW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds8

About N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62712834) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62712834
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCCOc1ccccc1C1CC1CNCCOC
InChIInChI=1S/C15H23NO2/c1-3-18-15-7-5-4-6-13(15)14-10-12(14)11-16-8-9-17-2/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyCPTRDKRWEPRZIW-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
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

2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62713547
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
CID 79234716
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine (CID 62712834) is N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine is CCOc1ccccc1C1CC1CNCCOC.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is CPTRDKRWEPRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15-7-5-4-6-13(15)14-10-12(14)11-16-8-9-17-2/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62712834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).