6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine

C17H27NO2 — CID 82461976

IUPAC6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)C(NCCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H27NO2/c1-12(2)8-9-18-15-11-17(3,4)20-16-7-6-13(19-5)10-14(15)16/h6-7,10,12,15,18H,8-9,11H2,1-5H3
InChIKeyMVOLXHWANCIFKQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds5

About 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine

6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine (PubChem CID 82461976) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
PubChem CID82461976
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)C(NCCC(C)C)CC(C)(C)O2
InChIInChI=1S/C17H27NO2/c1-12(2)8-9-18-15-11-17(3,4)20-16-7-6-13(19-5)10-14(15)16/h6-7,10,12,15,18H,8-9,11H2,1-5H3
InChIKeyMVOLXHWANCIFKQ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 57258878
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine (CID 82461976) is 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine is COc1ccc2c(c1)C(NCCC(C)C)CC(C)(C)O2.
What is the InChIKey of 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is MVOLXHWANCIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)8-9-18-15-11-17(3,4)20-16-7-6-13(19-5)10-14(15)16/h6-7,10,12,15,18H,8-9,11H2,1-5H3.
What are the key properties of 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine?
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).