(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H23NO2 — CID 104944827

IUPAC(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCC(C)CC1)C[C@H]2N
InChIInChI=1S/C16H23NO2/c1-11-5-7-16(8-6-11)10-14(17)13-4-3-12(18-2)9-15(13)19-16/h3-4,9,11,14H,5-8,10,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyABSRRAUYCBIXKY-OFWKBQFLSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds1

About (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104944827) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104944827
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCC(C)CC1)C[C@H]2N
InChIInChI=1S/C16H23NO2/c1-11-5-7-16(8-6-11)10-14(17)13-4-3-12(18-2)9-15(13)19-16/h3-4,9,11,14H,5-8,10,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyABSRRAUYCBIXKY-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

(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114710871
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
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-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104944827) is (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is COc1ccc2c(c1)OC1(CCC(C)CC1)C[C@H]2N.
What is the InChIKey of (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is ABSRRAUYCBIXKY-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-7-16(8-6-11)10-14(17)13-4-3-12(18-2)9-15(13)19-16/h3-4,9,11,14H,5-8,10,17H2,1-2H3/t11?,14-,16?/m1/s1.
What are the key properties of (4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-7-methoxy-4'-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)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104944827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).