2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine

C14H21NO3 — CID 82462392

IUPAC2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(N)c2ccc(OC)c(OC)c2O1
InChIInChI=1S/C14H21NO3/c1-5-14(2)8-10(15)9-6-7-11(16-3)13(17-4)12(9)18-14/h6-7,10H,5,8,15H2,1-4H3
InChIKeyDHORBUSLWNMBFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.65
Rot. Bonds3

About 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine

2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 82462392) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID82462392
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(N)c2ccc(OC)c(OC)c2O1
InChIInChI=1S/C14H21NO3/c1-5-14(2)8-10(15)9-6-7-11(16-3)13(17-4)12(9)18-14/h6-7,10H,5,8,15H2,1-4H3
InChIKeyDHORBUSLWNMBFR-UHFFFAOYSA-N
XLogP2.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462395
7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 82462055
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462059
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 75357275
4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046856
7,8-dimethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046930
2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780
(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944803
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
(4S)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944611
(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837934

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine (CID 82462392) is 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine is CCC1(C)CC(N)c2ccc(OC)c(OC)c2O1.
What is the InChIKey of 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is DHORBUSLWNMBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-14(2)8-10(15)9-6-7-11(16-3)13(17-4)12(9)18-14/h6-7,10H,5,8,15H2,1-4H3.
What are the key properties of 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine?
2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).