(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

C17H27NO2 — CID 104944803

IUPAC(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C17H27NO2/c1-5-12(3)10-17(6-2)11-15(18)14-8-7-13(19-4)9-16(14)20-17/h7-9,12,15H,5-6,10-11,18H2,1-4H3/t12?,15-,17?/m1/s1
InChIKeyQMXOJQXXPDNBRH-YAJUMTOWSA-N
MW277.41 g/mol
LogP4.06
Rot. Bonds5

About (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (PubChem CID 104944803) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
PubChem CID104944803
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C17H27NO2/c1-5-12(3)10-17(6-2)11-15(18)14-8-7-13(19-4)9-16(14)20-17/h7-9,12,15H,5-6,10-11,18H2,1-4H3/t12?,15-,17?/m1/s1
InChIKeyQMXOJQXXPDNBRH-YAJUMTOWSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780
(4S)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944611
(4S)-2-ethyl-6-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969
(4R)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951740
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104950454

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (CID 104944803) is (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is CCC(C)CC1(CC)C[C@@H](N)c2ccc(OC)cc2O1.
What is the InChIKey of (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is QMXOJQXXPDNBRH-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-12(3)10-17(6-2)11-15(18)14-8-7-13(19-4)9-16(14)20-17/h7-9,12,15H,5-6,10-11,18H2,1-4H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104944803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).