2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine

C15H23NO2 — CID 82462579

IUPAC2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NC)c2cc(OC)ccc2O1
InChIInChI=1S/C15H23NO2/c1-5-15(6-2)10-13(16-3)12-9-11(17-4)7-8-14(12)18-15/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyCOSSGLGTCOVNGL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.30
Rot. Bonds4

About 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine

2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine (PubChem CID 82462579) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
PubChem CID82462579
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NC)c2cc(OC)ccc2O1
InChIInChI=1S/C15H23NO2/c1-5-15(6-2)10-13(16-3)12-9-11(17-4)7-8-14(12)18-15/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyCOSSGLGTCOVNGL-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
7-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114710932
2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114712937
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
(4S)-2-ethyl-6-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814
6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114713216
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine (CID 82462579) is 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine is CCC1(CC)CC(NC)c2cc(OC)ccc2O1.
What is the InChIKey of 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is COSSGLGTCOVNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-15(6-2)10-13(16-3)12-9-11(17-4)7-8-14(12)18-15/h7-9,13,16H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine?
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 249.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).