7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

C14H21NO3 — CID 82462055

IUPAC7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2c1ccc(OC)c2OC
InChIInChI=1S/C14H21NO3/c1-14(2)8-10(15-3)9-6-7-11(16-4)13(17-5)12(9)18-14/h6-7,10,15H,8H2,1-5H3
InChIKeyGTKAQMQBHDUMIO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.53
Rot. Bonds3

About 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 82462055) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID82462055
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2c1ccc(OC)c2OC
InChIInChI=1S/C14H21NO3/c1-14(2)8-10(15-3)9-6-7-11(16-4)13(17-5)12(9)18-14/h6-7,10,15H,8H2,1-5H3
InChIKeyGTKAQMQBHDUMIO-UHFFFAOYSA-N
XLogP2.53
TPSA39.72 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462059
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 82462392
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 64698506
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285
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
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (CID 82462055) is 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is CNC1CC(C)(C)Oc2c1ccc(OC)c2OC.
What is the InChIKey of 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is GTKAQMQBHDUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2)8-10(15-3)9-6-7-11(16-4)13(17-5)12(9)18-14/h6-7,10,15H,8H2,1-5H3.
What are the key properties of 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).