2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine

C18H20N2O — CID 82047156

IUPAC2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine
SMILESNCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1
InChIInChI=1S/C18H20N2O/c19-10-12-20-11-9-18(13-20)8-7-15-6-5-14-3-1-2-4-16(14)17(15)21-18/h1-8H,9-13,19H2
InChIKeyWJKIILAIYJEHFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.65
Rot. Bonds2

About 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine

2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine (PubChem CID 82047156) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine.

Molecular Properties

Compound Name2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine
PubChem CID82047156
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine
SMILESNCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1
InChIInChI=1S/C18H20N2O/c19-10-12-20-11-9-18(13-20)8-7-15-6-5-14-3-1-2-4-16(14)17(15)21-18/h1-8H,9-13,19H2
InChIKeyWJKIILAIYJEHFN-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
CID 82047190
2-(8-methylspiro[chromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047120
3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047165
2-spiro[chromene-2,4'-piperidine]-1'-ylethanamine
CID 82046760
spiro[benzo[h]chromene-2,3'-pyrrolidine]
CID 82046003
3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine
CID 82046989
2,2-dimethoxybenzo[h]chromene
CID 141176561
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047166
2-(6-ethylspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046764
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486

Frequently Asked Questions

What is the IUPAC name of 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine?
The IUPAC name of 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine (CID 82047156) is 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine.
What is the SMILES notation for 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine?
The canonical SMILES for 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine is NCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1.
What is the InChIKey of 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine?
The InChIKey is WJKIILAIYJEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-10-12-20-11-9-18(13-20)8-7-15-6-5-14-3-1-2-4-16(14)17(15)21-18/h1-8H,9-13,19H2.
What are the key properties of 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine?
2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine has a molecular weight of 280.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine is sourced from PubChem (CID 82047156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).