(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C16H22N2O2 — CID 104946851

IUPAC(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2
InChIInChI=1S/C16H22N2O2/c1-19-12-4-5-15-13(8-12)14(17)9-16(20-15)6-7-18(10-16)11-2-3-11/h4-5,8,11,14H,2-3,6-7,9-10,17H2,1H3/t14-,16?/m0/s1
InChIKeyNCSLAHDKVFHXBW-LBAUFKAWSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds2

About (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104946851) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104946851
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2
InChIInChI=1S/C16H22N2O2/c1-19-12-4-5-15-13(8-12)14(17)9-16(20-15)6-7-18(10-16)11-2-3-11/h4-5,8,11,14H,2-3,6-7,9-10,17H2,1H3/t14-,16?/m0/s1
InChIKeyNCSLAHDKVFHXBW-LBAUFKAWSA-N
XLogP2.08
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114709895
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104946851) is (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is COc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2.
What is the InChIKey of (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is NCSLAHDKVFHXBW-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-12-4-5-15-13(8-12)14(17)9-16(20-15)6-7-18(10-16)11-2-3-11/h4-5,8,11,14H,2-3,6-7,9-10,17H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 274.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104946851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).