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

C16H22FN — CID 115057388

IUPAC(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
SMILESNCC1CCc2c(F)cccc2C12CCCCC2
InChIInChI=1S/C16H22FN/c17-15-6-4-5-14-13(15)8-7-12(11-18)16(14)9-2-1-3-10-16/h4-6,12H,1-3,7-11,18H2
InChIKeyXOYPYEKLFUOTPK-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.55
Rot. Bonds1

About (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine

(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine (PubChem CID 115057388) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
PubChem CID115057388
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
SMILESNCC1CCc2c(F)cccc2C12CCCCC2
InChIInChI=1S/C16H22FN/c17-15-6-4-5-14-13(15)8-7-12(11-18)16(14)9-2-1-3-10-16/h4-6,12H,1-3,7-11,18H2
InChIKeyXOYPYEKLFUOTPK-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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Frequently Asked Questions

What is the IUPAC name of (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The IUPAC name of (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine (CID 115057388) is (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine.
What is the SMILES notation for (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The canonical SMILES for (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine is NCC1CCc2c(F)cccc2C12CCCCC2.
What is the InChIKey of (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
The InChIKey is XOYPYEKLFUOTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-15-6-4-5-14-13(15)8-7-12(11-18)16(14)9-2-1-3-10-16/h4-6,12H,1-3,7-11,18H2.
What are the key properties of (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine?
(5-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 (5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine is sourced from PubChem (CID 115057388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).