N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine

C15H23NO2 — CID 114711038

IUPACN-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1CC(NCC)c2ccc(OC)cc2O1
InChIInChI=1S/C15H23NO2/c1-4-6-12-9-14(16-5-2)13-8-7-11(17-3)10-15(13)18-12/h7-8,10,12,14,16H,4-6,9H2,1-3H3
InChIKeyBPTTWUZGXACTRQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711038) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711038
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC1CC(NCC)c2ccc(OC)cc2O1
InChIInChI=1S/C15H23NO2/c1-4-6-12-9-14(16-5-2)13-8-7-11(17-3)10-15(13)18-12/h7-8,10,12,14,16H,4-6,9H2,1-3H3
InChIKeyBPTTWUZGXACTRQ-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
CID 114714331
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
CID 114712202
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114711038) is N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine is CCCC1CC(NCC)c2ccc(OC)cc2O1.
What is the InChIKey of N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BPTTWUZGXACTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-12-9-14(16-5-2)13-8-7-11(17-3)10-15(13)18-12/h7-8,10,12,14,16H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 249.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).