4,4,6-trimethyl-2,3-dihydrochromen-7-amine

C12H17NO — CID 18983589

IUPAC4,4,6-trimethyl-2,3-dihydrochromen-7-amine
SMILESCc1cc2c(cc1N)OCCC2(C)C
InChIInChI=1S/C12H17NO/c1-8-6-9-11(7-10(8)13)14-5-4-12(9,2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyCMUCLPHRLNHSRW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds

About 4,4,6-trimethyl-2,3-dihydrochromen-7-amine

4,4,6-trimethyl-2,3-dihydrochromen-7-amine (PubChem CID 18983589) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4,4,6-trimethyl-2,3-dihydrochromen-7-amine.

Molecular Properties

Compound Name4,4,6-trimethyl-2,3-dihydrochromen-7-amine
PubChem CID18983589
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4,4,6-trimethyl-2,3-dihydrochromen-7-amine
SMILESCc1cc2c(cc1N)OCCC2(C)C
InChIInChI=1S/C12H17NO/c1-8-6-9-11(7-10(8)13)14-5-4-12(9,2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyCMUCLPHRLNHSRW-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2,3-dihydrochromen-7-amine?
The IUPAC name of 4,4,6-trimethyl-2,3-dihydrochromen-7-amine (CID 18983589) is 4,4,6-trimethyl-2,3-dihydrochromen-7-amine.
What is the SMILES notation for 4,4,6-trimethyl-2,3-dihydrochromen-7-amine?
The canonical SMILES for 4,4,6-trimethyl-2,3-dihydrochromen-7-amine is Cc1cc2c(cc1N)OCCC2(C)C.
What is the InChIKey of 4,4,6-trimethyl-2,3-dihydrochromen-7-amine?
The InChIKey is CMUCLPHRLNHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-9-11(7-10(8)13)14-5-4-12(9,2)3/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2,3-dihydrochromen-7-amine?
4,4,6-trimethyl-2,3-dihydrochromen-7-amine has a molecular weight of 191.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2,3-dihydrochromen-7-amine is sourced from PubChem (CID 18983589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).