N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine

C16H25NO2 — CID 104660326

IUPACN-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCCOC)C1CC1C
InChIInChI=1S/C16H25NO2/c1-4-17-16(14-11-12(14)2)13-7-5-6-8-15(13)19-10-9-18-3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyZQRJBFDRUDPKIH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds8

About N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine

N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 104660326) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID104660326
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCCOC)C1CC1C
InChIInChI=1S/C16H25NO2/c1-4-17-16(14-11-12(14)2)13-7-5-6-8-15(13)19-10-9-18-3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyZQRJBFDRUDPKIH-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
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-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
CID 105035384
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
N-[[2-(2-methoxyethoxy)phenyl]-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105035372
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine (CID 104660326) is N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1ccccc1OCCOC)C1CC1C.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is ZQRJBFDRUDPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-16(14-11-12(14)2)13-7-5-6-8-15(13)19-10-9-18-3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine?
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 104660326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).