(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C14H19ClN2O — CID 104945179

IUPAC(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC1CNCCC12C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C14H19ClN2O/c1-9-8-17-5-4-14(9)7-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12,17H,4-5,7-8,16H2,1H3/t9?,12-,14?/m0/s1
InChIKeyJFNNXLBBFQIQCP-PEUVISTOSA-N
MW266.77 g/mol
LogP2.49
Rot. Bonds

About (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104945179) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104945179
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC1CNCCC12C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C14H19ClN2O/c1-9-8-17-5-4-14(9)7-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12,17H,4-5,7-8,16H2,1H3/t9?,12-,14?/m0/s1
InChIKeyJFNNXLBBFQIQCP-PEUVISTOSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104945232
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114708917
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104945179) is (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CC1CNCCC12C[C@H](N)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is JFNNXLBBFQIQCP-PEUVISTOSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-8-17-5-4-14(9)7-12(16)11-6-10(15)2-3-13(11)18-14/h2-3,6,9,12,17H,4-5,7-8,16H2,1H3/t9?,12-,14?/m0/s1.
What are the key properties of (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 266.77 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104945179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).