2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine

C19H31NO2 — CID 82462380

IUPAC2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCOc1cccc2c1C(NCC(C)C)CC(C)(CC)O2
InChIInChI=1S/C19H31NO2/c1-6-11-21-16-9-8-10-17-18(16)15(20-13-14(3)4)12-19(5,7-2)22-17/h8-10,14-15,20H,6-7,11-13H2,1-5H3
InChIKeyZEXZWQOFYYBUQM-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.71
Rot. Bonds7

About 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine

2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine (PubChem CID 82462380) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
PubChem CID82462380
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCOc1cccc2c1C(NCC(C)C)CC(C)(CC)O2
InChIInChI=1S/C19H31NO2/c1-6-11-21-16-9-8-10-17-18(16)15(20-13-14(3)4)12-19(5,7-2)22-17/h8-10,14-15,20H,6-7,11-13H2,1-5H3
InChIKeyZEXZWQOFYYBUQM-UHFFFAOYSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine (CID 82462380) is 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine is CCCOc1cccc2c1C(NCC(C)C)CC(C)(CC)O2.
What is the InChIKey of 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine?
The InChIKey is ZEXZWQOFYYBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-11-21-16-9-8-10-17-18(16)15(20-13-14(3)4)12-19(5,7-2)22-17/h8-10,14-15,20H,6-7,11-13H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine?
2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine has a molecular weight of 305.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).