N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

C16H23NO2 — CID 114712757

IUPACN-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCNC1CC2(CCOC2C)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-4-17-14-10-16(7-8-18-12(16)3)19-15-6-5-11(2)9-13(14)15/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyYEBQHAXLCSAYNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds2

About N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 114712757) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound NameN-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID114712757
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCNC1CC2(CCOC2C)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-4-17-14-10-16(7-8-18-12(16)3)19-15-6-5-11(2)9-13(14)15/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyYEBQHAXLCSAYNO-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711391
(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 104944487
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 114712757) is N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CCNC1CC2(CCOC2C)Oc2ccc(C)cc21.
What is the InChIKey of N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is YEBQHAXLCSAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-17-14-10-16(7-8-18-12(16)3)19-15-6-5-11(2)9-13(14)15/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 114712757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).