1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine

C15H23NO — CID 81137571

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H23NO/c1-5-13(16-4)12-10-15(2,3)17-14-9-7-6-8-11(12)14/h6-9,12-13,16H,5,10H2,1-4H3
InChIKeyUABMGFHLTMTZIG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.33
Rot. Bonds3

About 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine

1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine (PubChem CID 81137571) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine
PubChem CID81137571
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H23NO/c1-5-13(16-4)12-10-15(2,3)17-14-9-7-6-8-11(12)14/h6-9,12-13,16H,5,10H2,1-4H3
InChIKeyUABMGFHLTMTZIG-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine (CID 81137571) is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine is CCC(NC)C1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine?
The InChIKey is UABMGFHLTMTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-13(16-4)12-10-15(2,3)17-14-9-7-6-8-11(12)14/h6-9,12-13,16H,5,10H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine?
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 81137571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).