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

C17H26N2O2 — CID 104946840

IUPAC(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCN(C(C)C)CC1)O2
InChIInChI=1S/C17H26N2O2/c1-12(2)19-8-6-17(7-9-19)11-15(18)14-10-13(20-3)4-5-16(14)21-17/h4-5,10,12,15H,6-9,11,18H2,1-3H3/t15-/m0/s1
InChIKeyHJFUHEDMPWNOSA-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds2

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

(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104946840) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104946840
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCN(C(C)C)CC1)O2
InChIInChI=1S/C17H26N2O2/c1-12(2)19-8-6-17(7-9-19)11-15(18)14-10-13(20-3)4-5-16(14)21-17/h4-5,10,12,15H,6-9,11,18H2,1-3H3/t15-/m0/s1
InChIKeyHJFUHEDMPWNOSA-HNNXBMFYSA-N
XLogP2.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114709895
(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946851
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(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
6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463054
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104946840) is (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is COc1ccc2c(c1)[C@@H](N)CC1(CCN(C(C)C)CC1)O2.
What is the InChIKey of (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is HJFUHEDMPWNOSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)19-8-6-17(7-9-19)11-15(18)14-10-13(20-3)4-5-16(14)21-17/h4-5,10,12,15H,6-9,11,18H2,1-3H3/t15-/m0/s1.
What are the key properties of (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).