6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine

C16H25NO2 — CID 114712917

IUPAC6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C1CC(NC)c2cc(OC)ccc2O1
InChIInChI=1S/C16H25NO2/c1-5-11(6-2)16-10-14(17-3)13-9-12(18-4)7-8-15(13)19-16/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyWBQGVXXLGBESNF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds5

About 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712917) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712917
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C1CC(NC)c2cc(OC)ccc2O1
InChIInChI=1S/C16H25NO2/c1-5-11(6-2)16-10-14(17-3)13-9-12(18-4)7-8-15(13)19-16/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyWBQGVXXLGBESNF-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713104
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710884
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090686
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712965
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine (CID 114712917) is 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine is CCC(CC)C1CC(NC)c2cc(OC)ccc2O1.
What is the InChIKey of 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WBQGVXXLGBESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11(6-2)16-10-14(17-3)13-9-12(18-4)7-8-15(13)19-16/h7-9,11,14,16-17H,5-6,10H2,1-4H3.
What are the key properties of 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).