1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

C16H23NO — CID 79177519

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1COc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-4-9-17-16(12(2)3)14-10-13-7-5-6-8-15(13)18-11-14/h5-8,14,16-17H,2,4,9-11H2,1,3H3
InChIKeySEZYEPZTOZYJMU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.18
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 79177519) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID79177519
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1COc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-4-9-17-16(12(2)3)14-10-13-7-5-6-8-15(13)18-11-14/h5-8,14,16-17H,2,4,9-11H2,1,3H3
InChIKeySEZYEPZTOZYJMU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 79177519) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is SEZYEPZTOZYJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-9-17-16(12(2)3)14-10-13-7-5-6-8-15(13)18-11-14/h5-8,14,16-17H,2,4,9-11H2,1,3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79177519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).