(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C16H23ClN2O — CID 104945253

IUPAC(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC(C)N1CCC2(CC1)C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H23ClN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyDZZXJEOXANAMIQ-AWEZNQCLSA-N
MW294.83 g/mol
LogP3.37
Rot. Bonds1

About (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104945253) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104945253
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC(C)N1CCC2(CC1)C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H23ClN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyDZZXJEOXANAMIQ-AWEZNQCLSA-N
XLogP3.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947474
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114708917
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

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104945253) is (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CC(C)N1CCC2(CC1)C[C@H](N)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is DZZXJEOXANAMIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-9-12(17)3-4-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 294.83 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104945253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).