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

C16H23NO — CID 115057180

IUPAC(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCc1cccc2c1C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO/c1-12-3-2-4-13-5-6-14(11-17)16(15(12)13)7-9-18-10-8-16/h2-4,14H,5-11,17H2,1H3
InChIKeyCLWWOHGDQNABIO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.56
Rot. Bonds1

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

(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (PubChem CID 115057180) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.

Molecular Properties

Compound Name(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
PubChem CID115057180
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCc1cccc2c1C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO/c1-12-3-2-4-13-5-6-14(11-17)16(15(12)13)7-9-18-10-8-16/h2-4,14H,5-11,17H2,1H3
InChIKeyCLWWOHGDQNABIO-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057237
(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057247
7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
CID 115057224
8-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
CID 115056918
8-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010719
[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine
CID 90276211
spiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-ol
CID 115010714
[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
CID 105458006
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
CID 115057219
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115439469
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554

Frequently Asked Questions

What is the IUPAC name of (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The IUPAC name of (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (CID 115057180) is (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.
What is the SMILES notation for (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The canonical SMILES for (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is Cc1cccc2c1C1(CCOCC1)C(CN)CC2.
What is the InChIKey of (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The InChIKey is CLWWOHGDQNABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-3-2-4-13-5-6-14(11-17)16(15(12)13)7-9-18-10-8-16/h2-4,14H,5-11,17H2,1H3.
What are the key properties of (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is sourced from PubChem (CID 115057180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).