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

C16H23NO2 — CID 104946934

IUPAC(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1)O2
InChIInChI=1S/C16H23NO2/c1-11-4-3-7-16(9-11)10-14(17)13-8-12(18-2)5-6-15(13)19-16/h5-6,8,11,14H,3-4,7,9-10,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyNGMVAOYUWFJLQB-OFWKBQFLSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds1

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

(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946934) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946934
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1)O2
InChIInChI=1S/C16H23NO2/c1-11-4-3-7-16(9-11)10-14(17)13-8-12(18-2)5-6-15(13)19-16/h5-6,8,11,14H,3-4,7,9-10,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyNGMVAOYUWFJLQB-OFWKBQFLSA-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

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Related Compounds

(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
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)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946934) is (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is COc1ccc2c(c1)[C@H](N)CC1(CCCC(C)C1)O2.
What is the InChIKey of (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is NGMVAOYUWFJLQB-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-4-3-7-16(9-11)10-14(17)13-8-12(18-2)5-6-15(13)19-16/h5-6,8,11,14H,3-4,7,9-10,17H2,1-2H3/t11?,14-,16?/m1/s1.
What are the key properties of (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-6-methoxy-3'-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 (4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).