N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine

C14H21NO2 — CID 55077799

IUPACN-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCOCCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-16-7-8-17-11-13-4-2-3-12(9-13)10-15-14-5-6-14/h2-4,9,14-15H,5-8,10-11H2,1H3
InChIKeyDBCPEEWWGJWGDP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds8

About N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 55077799) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID55077799
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCOCCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-16-7-8-17-11-13-4-2-3-12(9-13)10-15-14-5-6-14/h2-4,9,14-15H,5-8,10-11H2,1H3
InChIKeyDBCPEEWWGJWGDP-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine (CID 55077799) is N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine is COCCOCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is DBCPEEWWGJWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-7-8-17-11-13-4-2-3-12(9-13)10-15-14-5-6-14/h2-4,9,14-15H,5-8,10-11H2,1H3.
What are the key properties of N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55077799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).