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

C15H21ClN2O — CID 82046802

IUPAC2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
SMILESNCCN1CCC2(CCc3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C15H21ClN2O/c16-13-1-2-14-12(11-13)3-4-15(19-14)5-8-18(9-6-15)10-7-17/h1-2,11H,3-10,17H2
InChIKeyATGUXFGVEYYGFN-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.46
Rot. Bonds2

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

2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine (PubChem CID 82046802) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
PubChem CID82046802
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
SMILESNCCN1CCC2(CCc3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C15H21ClN2O/c16-13-1-2-14-12(11-13)3-4-15(19-14)5-8-18(9-6-15)10-7-17/h1-2,11H,3-10,17H2
InChIKeyATGUXFGVEYYGFN-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.46
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
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
CID 71713916
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
5-chloro-1'-(4,4-diphenylbutyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318086
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047542
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
CID 135124904

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine?
The IUPAC name of 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine (CID 82046802) is 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine.
What is the SMILES notation for 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine?
The canonical SMILES for 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine is NCCN1CCC2(CCc3cc(Cl)ccc3O2)CC1.
What is the InChIKey of 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine?
The InChIKey is ATGUXFGVEYYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-1-2-14-12(11-13)3-4-15(19-14)5-8-18(9-6-15)10-7-17/h1-2,11H,3-10,17H2.
What are the key properties of 2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine?
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine has a molecular weight of 280.80 g/mol, XLogP of 2.46, 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-2,4'-piperidine]-1'-yl)ethanamine is sourced from PubChem (CID 82046802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).