(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine

C16H23NO2 — CID 115057237

IUPAC(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCOc1cccc2c1C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO2/c1-18-14-4-2-3-12-5-6-13(11-17)16(15(12)14)7-9-19-10-8-16/h2-4,13H,5-11,17H2,1H3
InChIKeyBXRLBGQDMWPDNB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.26
Rot. Bonds2

About (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine

(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (PubChem CID 115057237) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.

Molecular Properties

Compound Name(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
PubChem CID115057237
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCOc1cccc2c1C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO2/c1-18-14-4-2-3-12-5-6-13(11-17)16(15(12)14)7-9-19-10-8-16/h2-4,13H,5-11,17H2,1H3
InChIKeyBXRLBGQDMWPDNB-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057180
7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
CID 115057224
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
4-[(5-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]morpholine
CID 151491731
5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 67993833
(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol
CID 175048904
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 138010631

Frequently Asked Questions

What is the IUPAC name of (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The IUPAC name of (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (CID 115057237) is (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.
What is the SMILES notation for (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The canonical SMILES for (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is COc1cccc2c1C1(CCOCC1)C(CN)CC2.
What is the InChIKey of (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The InChIKey is BXRLBGQDMWPDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-14-4-2-3-12-5-6-13(11-17)16(15(12)14)7-9-19-10-8-16/h2-4,13H,5-11,17H2,1H3.
What are the key properties of (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is sourced from PubChem (CID 115057237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).