2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H23NO2 — CID 114712965

IUPAC2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CC=CCC2)Oc2ccc(OC)cc21
InChIInChI=1S/C17H23NO2/c1-18-15-11-17(12-6-4-3-5-7-12)20-16-9-8-13(19-2)10-14(15)16/h3-4,8-10,12,15,17-18H,5-7,11H2,1-2H3
InChIKeyOAFVTGRZFOQHDV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.46
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712965) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712965
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CC=CCC2)Oc2ccc(OC)cc21
InChIInChI=1S/C17H23NO2/c1-18-15-11-17(12-6-4-3-5-7-12)20-16-9-8-13(19-2)10-14(15)16/h3-4,8-10,12,15,17-18H,5-7,11H2,1-2H3
InChIKeyOAFVTGRZFOQHDV-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090686
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710547
N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712477
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712965) is 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CC=CCC2)Oc2ccc(OC)cc21.
What is the InChIKey of 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OAFVTGRZFOQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-15-11-17(12-6-4-3-5-7-12)20-16-9-8-13(19-2)10-14(15)16/h3-4,8-10,12,15,17-18H,5-7,11H2,1-2H3.
What are the key properties of 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).