6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine

C14H19ClN2O — CID 114708917

IUPAC6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCC1CC2(CC(N)c3cc(Cl)ccc3O2)CN1C
InChIInChI=1S/C14H19ClN2O/c1-9-6-14(8-17(9)2)7-12(16)11-5-10(15)3-4-13(11)18-14/h3-5,9,12H,6-8,16H2,1-2H3
InChIKeyYSGIRTGFEWVXJD-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.59
Rot. Bonds

About 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine

6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (PubChem CID 114708917) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
PubChem CID114708917
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCC1CC2(CC(N)c3cc(Cl)ccc3O2)CN1C
InChIInChI=1S/C14H19ClN2O/c1-9-6-14(8-17(9)2)7-12(16)11-5-10(15)3-4-13(11)18-14/h3-5,9,12H,6-8,16H2,1-2H3
InChIKeyYSGIRTGFEWVXJD-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104945232
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The IUPAC name of 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (CID 114708917) is 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.
What is the SMILES notation for 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The canonical SMILES for 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is CC1CC2(CC(N)c3cc(Cl)ccc3O2)CN1C.
What is the InChIKey of 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The InChIKey is YSGIRTGFEWVXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-6-14(8-17(9)2)7-12(16)11-5-10(15)3-4-13(11)18-14/h3-5,9,12H,6-8,16H2,1-2H3.
What are the key properties of 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine has a molecular weight of 266.77 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is sourced from PubChem (CID 114708917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).