2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine

C14H20N2O — CID 82047486

IUPAC2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
SMILESNCCN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C14H20N2O/c15-8-10-16-9-7-14(11-16)6-5-12-3-1-2-4-13(12)17-14/h1-4H,5-11,15H2
InChIKeyLFUGIPWLXOAYMG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.41
Rot. Bonds2

About 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine

2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine (PubChem CID 82047486) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine.

Molecular Properties

Compound Name2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
PubChem CID82047486
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
SMILESNCCN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C14H20N2O/c15-8-10-16-9-7-14(11-16)6-5-12-3-1-2-4-13(12)17-14/h1-4H,5-11,15H2
InChIKeyLFUGIPWLXOAYMG-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 154800338
2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
CID 146135827
1'-methyl-4-(thiophen-2-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 46965675
1'-methyl-4-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 46965684
1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 175929220
1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 167897706
1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 70607000
2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid
CID 136552381

Frequently Asked Questions

What is the IUPAC name of 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine?
The IUPAC name of 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine (CID 82047486) is 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine.
What is the SMILES notation for 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine?
The canonical SMILES for 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine is NCCN1CCC2(CCc3ccccc3O2)C1.
What is the InChIKey of 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine?
The InChIKey is LFUGIPWLXOAYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-8-10-16-9-7-14(11-16)6-5-12-3-1-2-4-13(12)17-14/h1-4H,5-11,15H2.
What are the key properties of 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine?
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine is sourced from PubChem (CID 82047486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).