2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H27NO2 — CID 106875173

IUPAC2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCNC1CC2(CCCCC2OC)Oc2ccccc21
InChIInChI=1S/C18H27NO2/c1-3-12-19-15-13-18(11-7-6-10-17(18)20-2)21-16-9-5-4-8-14(15)16/h4-5,8-9,15,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyFRBGRFVOKRGYDC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds4

About 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 106875173) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID106875173
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCNC1CC2(CCCCC2OC)Oc2ccccc21
InChIInChI=1S/C18H27NO2/c1-3-12-19-15-13-18(11-7-6-10-17(18)20-2)21-16-9-5-4-8-14(15)16/h4-5,8-9,15,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyFRBGRFVOKRGYDC-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-tripropyl-3,4-dihydrochromen-4-amine
CID 114712437
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713490
(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875074
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
methyl (3S)-spiro[3H-1-benzofuran-2,1'-cyclohexane]-3-carboxylate
CID 135058831
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407

Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 106875173) is 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCNC1CC2(CCCCC2OC)Oc2ccccc21.
What is the InChIKey of 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is FRBGRFVOKRGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-12-19-15-13-18(11-7-6-10-17(18)20-2)21-16-9-5-4-8-14(15)16/h4-5,8-9,15,17,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 106875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).