8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine

C18H27NO2 — CID 43536932

IUPAC8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc2c(c(C(C)(C)C)c1)OC(C)CC2NC1CC1
InChIInChI=1S/C18H27NO2/c1-11-8-16(19-12-6-7-12)14-9-13(20-5)10-15(17(14)21-11)18(2,3)4/h9-12,16,19H,6-8H2,1-5H3
InChIKeyIFXUMGWGVRNLML-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.96
Rot. Bonds3

About 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine

8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43536932) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43536932
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc2c(c(C(C)(C)C)c1)OC(C)CC2NC1CC1
InChIInChI=1S/C18H27NO2/c1-11-8-16(19-12-6-7-12)14-9-13(20-5)10-15(17(14)21-11)18(2,3)4/h9-12,16,19H,6-8H2,1-5H3
InChIKeyIFXUMGWGVRNLML-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43536932) is 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine is COc1cc2c(c(C(C)(C)C)c1)OC(C)CC2NC1CC1.
What is the InChIKey of 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IFXUMGWGVRNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11-8-16(19-12-6-7-12)14-9-13(20-5)10-15(17(14)21-11)18(2,3)4/h9-12,16,19H,6-8H2,1-5H3.
What are the key properties of 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43536932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).