2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one

C14H19NO2 — CID 84696853

IUPAC2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
SMILESCC(N)C(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C14H19NO2/c1-9(15)13(16)11-4-5-12-10(8-11)6-7-14(2,3)17-12/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyZJZOBIOLQNGXHI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one

2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one (PubChem CID 84696853) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
PubChem CID84696853
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
SMILESCC(N)C(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C14H19NO2/c1-9(15)13(16)11-4-5-12-10(8-11)6-7-14(2,3)17-12/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyZJZOBIOLQNGXHI-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one (CID 84696853) is 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one is CC(N)C(=O)c1ccc2c(c1)CCC(C)(C)O2.
What is the InChIKey of 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one?
The InChIKey is ZJZOBIOLQNGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(15)13(16)11-4-5-12-10(8-11)6-7-14(2,3)17-12/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one?
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one is sourced from PubChem (CID 84696853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).