2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine

C14H19ClN2O — CID 82047498

IUPAC2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
SMILESNCCN1CCC2(CCc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-1-2-13-11(9-12)3-4-14(18-13)5-7-17(10-14)8-6-16/h1-2,9H,3-8,10,16H2
InChIKeyHTDUAEYZHWCZGB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.07
Rot. Bonds2

About 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine

2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine (PubChem CID 82047498) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
PubChem CID82047498
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
SMILESNCCN1CCC2(CCc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-1-2-13-11(9-12)3-4-14(18-13)5-7-17(10-14)8-6-16/h1-2,9H,3-8,10,16H2
InChIKeyHTDUAEYZHWCZGB-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047542
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
CID 71713916
5-chloro-1'-(4,4-diphenylbutyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318086
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047485
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The IUPAC name of 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine (CID 82047498) is 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine.
What is the SMILES notation for 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The canonical SMILES for 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine is NCCN1CCC2(CCc3cc(Cl)ccc3O2)C1.
What is the InChIKey of 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
The InChIKey is HTDUAEYZHWCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-1-2-13-11(9-12)3-4-14(18-13)5-7-17(10-14)8-6-16/h1-2,9H,3-8,10,16H2.
What are the key properties of 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine?
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine has a molecular weight of 266.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine is sourced from PubChem (CID 82047498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).