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

C16H23NO2 — CID 42130108

IUPAC(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCOc1ccc2c(c1)[C@@H](N)CC1(CCCCC1)O2
InChIInChI=1S/C16H23NO2/c1-2-18-12-6-7-15-13(10-12)14(17)11-16(19-15)8-4-3-5-9-16/h6-7,10,14H,2-5,8-9,11,17H2,1H3/t14-/m0/s1
InChIKeyOVUFIMIPKUQGFC-AWEZNQCLSA-N
MW261.37 g/mol
LogP3.57
Rot. Bonds2

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

(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 42130108) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID42130108
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCOc1ccc2c(c1)[C@@H](N)CC1(CCCCC1)O2
InChIInChI=1S/C16H23NO2/c1-2-18-12-6-7-15-13(10-12)14(17)11-16(19-15)8-4-3-5-9-16/h6-7,10,14H,2-5,8-9,11,17H2,1H3/t14-/m0/s1
InChIKeyOVUFIMIPKUQGFC-AWEZNQCLSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 82020729
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
3-[(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]sulfanylpropanoic acid
CID 92864019
(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
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide
CID 5008281
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925

Frequently Asked Questions

What is the IUPAC name of (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 42130108) is (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCOc1ccc2c(c1)[C@@H](N)CC1(CCCCC1)O2.
What is the InChIKey of (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is OVUFIMIPKUQGFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-18-12-6-7-15-13(10-12)14(17)11-16(19-15)8-4-3-5-9-16/h6-7,10,14H,2-5,8-9,11,17H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 42130108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).