2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine

C16H24N2O2 — CID 82047504

IUPAC2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
SMILESCCOc1ccc2c(c1)OC1(CC2)CCN(CCN)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-4-3-13-5-6-16(20-15(13)11-14)7-9-18(12-16)10-8-17/h3-4,11H,2,5-10,12,17H2,1H3
InChIKeyYENSFXVDWCFGOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds4

About 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine

2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine (PubChem CID 82047504) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine.

Molecular Properties

Compound Name2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
PubChem CID82047504
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
SMILESCCOc1ccc2c(c1)OC1(CC2)CCN(CCN)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-4-3-13-5-6-16(20-15(13)11-14)7-9-18(12-16)10-8-17/h3-4,11H,2,5-10,12,17H2,1H3
InChIKeyYENSFXVDWCFGOP-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
CID 82047480
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047542
3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine
CID 139833037
3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047485
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
(2S)-4-[(4-ethoxy-3-methoxyphenyl)methyl]-7-methoxy-1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-azepane]
CID 95854154
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The IUPAC name of 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine (CID 82047504) is 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine.
What is the SMILES notation for 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The canonical SMILES for 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine is CCOc1ccc2c(c1)OC1(CC2)CCN(CCN)C1.
What is the InChIKey of 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The InChIKey is YENSFXVDWCFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-19-14-4-3-13-5-6-16(20-15(13)11-14)7-9-18(12-16)10-8-17/h3-4,11H,2,5-10,12,17H2,1H3.
What are the key properties of 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine is sourced from PubChem (CID 82047504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).