N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline

C13H19NO2 — CID 103439171

IUPACN-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-15-7-8-16-10-11-3-2-4-13(9-11)14-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyZWKIMDHMKGEDOM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds7

About N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline

N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline (PubChem CID 103439171) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
PubChem CID103439171
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-15-7-8-16-10-11-3-2-4-13(9-11)14-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyZWKIMDHMKGEDOM-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
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

N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
CID 60933972
3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
CID 60934098
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline?
The IUPAC name of N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline (CID 103439171) is N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline is COCCOCc1cccc(NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline?
The InChIKey is ZWKIMDHMKGEDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-7-8-16-10-11-3-2-4-13(9-11)14-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3.
What are the key properties of N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline?
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline has a molecular weight of 221.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline is sourced from PubChem (CID 103439171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).