N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine

C16H23NO2 — CID 62443050

IUPACN-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESC=CCCOCCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-7-5-4-6-14(16)13-17-15-8-9-15/h2,4-7,15,17H,1,3,8-13H2
InChIKeyJKXWNGRGXOUHII-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds10

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

N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 62443050) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID62443050
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESC=CCCOCCOc1ccccc1CNC1CC1
InChIInChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-7-5-4-6-14(16)13-17-15-8-9-15/h2,4-7,15,17H,1,3,8-13H2
InChIKeyJKXWNGRGXOUHII-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443056
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine (CID 62443050) is N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine is C=CCCOCCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is JKXWNGRGXOUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-7-5-4-6-14(16)13-17-15-8-9-15/h2,4-7,15,17H,1,3,8-13H2.
What are the key properties of N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62443050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).