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

C17H23ClN2O — CID 114711171

IUPAC6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCNC1CC2(CC(C)N(C3CC3)C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-7-12(18)3-6-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3
InChIKeyMJCNRQDQIWYGIT-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.38
Rot. Bonds2

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

6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (PubChem CID 114711171) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
PubChem CID114711171
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCNC1CC2(CC(C)N(C3CC3)C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-7-12(18)3-6-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3
InChIKeyMJCNRQDQIWYGIT-UHFFFAOYSA-N
XLogP3.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104950590
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711261
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114708917
1'-cyclopropyl-N,6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712574
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114672071
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The IUPAC name of 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (CID 114711171) is 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.
What is the SMILES notation for 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The canonical SMILES for 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is CNC1CC2(CC(C)N(C3CC3)C2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The InChIKey is MJCNRQDQIWYGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-7-12(18)3-6-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3.
What are the key properties of 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine has a molecular weight of 306.84 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is sourced from PubChem (CID 114711171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).