2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine

C17H25NO2 — CID 114710996

IUPAC2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(C2CC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO2/c1-4-17(12-6-7-12)11-15(18-5-2)14-9-8-13(19-3)10-16(14)20-17/h8-10,12,15,18H,4-7,11H2,1-3H3
InChIKeyDFZYEHPIYLZRLU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.69
Rot. Bonds5

About 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine

2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine (PubChem CID 114710996) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
PubChem CID114710996
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(C2CC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO2/c1-4-17(12-6-7-12)11-15(18-5-2)14-9-8-13(19-3)10-16(14)20-17/h8-10,12,15,18H,4-7,11H2,1-3H3
InChIKeyDFZYEHPIYLZRLU-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
7-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114710932
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 57258878
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine (CID 114710996) is 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine is CCNC1CC(CC)(C2CC2)Oc2cc(OC)ccc21.
What is the InChIKey of 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine?
The InChIKey is DFZYEHPIYLZRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-17(12-6-7-12)11-15(18-5-2)14-9-8-13(19-3)10-16(14)20-17/h8-10,12,15,18H,4-7,11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine?
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114710996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).