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

C16H23NO — CID 115057247

IUPAC(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCc1ccc2c(c1)C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO/c1-12-2-3-13-4-5-14(11-17)16(15(13)10-12)6-8-18-9-7-16/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeyKJSFIKNAFBMWKF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.56
Rot. Bonds1

About (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine

(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (PubChem CID 115057247) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.

Molecular Properties

Compound Name(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
PubChem CID115057247
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
SMILESCc1ccc2c(c1)C1(CCOCC1)C(CN)CC2
InChIInChI=1S/C16H23NO/c1-12-2-3-13-4-5-14(11-17)16(15(13)10-12)6-8-18-9-7-16/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeyKJSFIKNAFBMWKF-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-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057180
(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057237
(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
CID 82774985
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
6-methyl-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103903344
4-(2-amino-5-methylphenyl)oxan-4-ol
CID 117104406
spiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-ol
CID 115010714
(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methanamine
CID 105445172
[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
CID 105458004
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285

Frequently Asked Questions

What is the IUPAC name of (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The IUPAC name of (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine (CID 115057247) is (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine.
What is the SMILES notation for (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The canonical SMILES for (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is Cc1ccc2c(c1)C1(CCOCC1)C(CN)CC2.
What is the InChIKey of (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
The InChIKey is KJSFIKNAFBMWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-3-13-4-5-14(11-17)16(15(13)10-12)6-8-18-9-7-16/h2-3,10,14H,4-9,11,17H2,1H3.
What are the key properties of (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine?
(7-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 (7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine is sourced from PubChem (CID 115057247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).