(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H23NO2 — CID 104946846

IUPAC(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCCCC1C)O2
InChIInChI=1S/C16H23NO2/c1-11-5-3-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3/t11?,14-,16?/m0/s1
InChIKeyHADXCJNQJPAZNQ-WMEQCIOUSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds1

About (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946846) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946846
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC1(CCCCC1C)O2
InChIInChI=1S/C16H23NO2/c1-11-5-3-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3/t11?,14-,16?/m0/s1
InChIKeyHADXCJNQJPAZNQ-WMEQCIOUSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104947093
(4'R)-6'-methoxyspiro[1-azabicyclo[3.2.1]octane-4,2'-3,4-dihydrochromene]-4'-amine
CID 105366453
(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946560
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946846) is (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is COc1ccc2c(c1)[C@@H](N)CC1(CCCCC1C)O2.
What is the InChIKey of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is HADXCJNQJPAZNQ-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-3-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).