6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C15H20ClNO — CID 114709018

IUPAC6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCC1CCC2(C1)CC(N)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13H,2,5-6,8-9,17H2,1H3
InChIKeyYSWLUKWBHQZVBE-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.07
Rot. Bonds1

About 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114709018) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114709018
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCC1CCC2(C1)CC(N)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13H,2,5-6,8-9,17H2,1H3
InChIKeyYSWLUKWBHQZVBE-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114709018) is 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCC1CCC2(C1)CC(N)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is YSWLUKWBHQZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13H,2,5-6,8-9,17H2,1H3.
What are the key properties of 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 265.78 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114709018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).