2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82462367

IUPAC2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(NCCC(C)C)c2c(OC)cccc2O1
InChIInChI=1S/C18H29NO2/c1-6-18(4)12-14(19-11-10-13(2)3)17-15(20-5)8-7-9-16(17)21-18/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyBENLHICDSKMGPG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds6

About 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine

2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine (PubChem CID 82462367) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
PubChem CID82462367
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(NCCC(C)C)c2c(OC)cccc2O1
InChIInChI=1S/C18H29NO2/c1-6-18(4)12-14(19-11-10-13(2)3)17-15(20-5)8-7-9-16(17)21-18/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyBENLHICDSKMGPG-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine (CID 82462367) is 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine is CCC1(C)CC(NCCC(C)C)c2c(OC)cccc2O1.
What is the InChIKey of 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is BENLHICDSKMGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-18(4)12-14(19-11-10-13(2)3)17-15(20-5)8-7-9-16(17)21-18/h7-9,13-14,19H,6,10-12H2,1-5H3.
What are the key properties of 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxy-2-methyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).