(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine

C16H22FN — CID 115057321

IUPAC(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
SMILESNCC1CCc2cc(F)ccc2C12CCCCC2
InChIInChI=1S/C16H22FN/c17-14-6-7-15-12(10-14)4-5-13(11-18)16(15)8-2-1-3-9-16/h6-7,10,13H,1-5,8-9,11,18H2
InChIKeyJDOQTPZIXLXSAU-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.55
Rot. Bonds1

About (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine

(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine (PubChem CID 115057321) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
PubChem CID115057321
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
SMILESNCC1CCc2cc(F)ccc2C12CCCCC2
InChIInChI=1S/C16H22FN/c17-14-6-7-15-12(10-14)4-5-13(11-18)16(15)8-2-1-3-9-16/h6-7,10,13H,1-5,8-9,11,18H2
InChIKeyJDOQTPZIXLXSAU-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057388
(5-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methanamine
CID 105445172
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531949
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057247
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
(1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057911
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
CID 115057072
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol
CID 116532506
(6-fluoro-1-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84700187

Frequently Asked Questions

What is the IUPAC name of (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The IUPAC name of (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine (CID 115057321) is (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine.
What is the SMILES notation for (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The canonical SMILES for (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine is NCC1CCc2cc(F)ccc2C12CCCCC2.
What is the InChIKey of (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The InChIKey is JDOQTPZIXLXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-14-6-7-15-12(10-14)4-5-13(11-18)16(15)8-2-1-3-9-16/h6-7,10,13H,1-5,8-9,11,18H2.
What are the key properties of (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine is sourced from PubChem (CID 115057321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).