2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine

C17H27NO3 — CID 114713126

IUPAC2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CC)(COC)Oc2ccc(OC)cc21
InChIInChI=1S/C17H27NO3/c1-5-9-18-15-11-17(6-2,12-19-3)21-16-8-7-13(20-4)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyNLIFJXLJENFMAX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds7

About 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine

2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 114713126) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID114713126
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CC)(COC)Oc2ccc(OC)cc21
InChIInChI=1S/C17H27NO3/c1-5-9-18-15-11-17(6-2,12-19-3)21-16-8-7-13(20-4)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyNLIFJXLJENFMAX-UHFFFAOYSA-N
XLogP3.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine (CID 114713126) is 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(CC)(COC)Oc2ccc(OC)cc21.
What is the InChIKey of 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is NLIFJXLJENFMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-9-18-15-11-17(6-2,12-19-3)21-16-8-7-13(20-4)10-14(15)16/h7-8,10,15,18H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine?
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114713126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).