N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine

C22H25NO — CID 74064129

IUPACN-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1ccc(CN(CC=Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H25NO/c1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19/h2-11,14-15,21H,1,12-13,16-18H2
InChIKeyBWASTAHMEMWESP-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.93
Rot. Bonds9

About N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine

N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine (PubChem CID 74064129) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
PubChem CID74064129
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1ccc(CN(CC=Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H25NO/c1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19/h2-11,14-15,21H,1,12-13,16-18H2
InChIKeyBWASTAHMEMWESP-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine (CID 74064129) is N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine is C=CCOc1ccc(CN(CC=Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The InChIKey is BWASTAHMEMWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19/h2-11,14-15,21H,1,12-13,16-18H2.
What are the key properties of N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine has a molecular weight of 319.45 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 74064129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).