(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C16H21F2NO — CID 105010015

IUPAC(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCC3)C2)c(F)cc1F
InChIInChI=1S/C16H21F2NO/c1-10-7-12(14(18)8-13(10)17)15(19)11-3-6-20-16(9-11)4-2-5-16/h7-8,11,15H,2-6,9,19H2,1H3
InChIKeyHDPCYZXEHNKOKA-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.62
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010015) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010015
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCC3)C2)c(F)cc1F
InChIInChI=1S/C16H21F2NO/c1-10-7-12(14(18)8-13(10)17)15(19)11-3-6-20-16(9-11)4-2-5-16/h7-8,11,15H,2-6,9,19H2,1H3
InChIKeyHDPCYZXEHNKOKA-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010015) is (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1cc(C(N)C2CCOC3(CCC3)C2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is HDPCYZXEHNKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-10-7-12(14(18)8-13(10)17)15(19)11-3-6-20-16(9-11)4-2-5-16/h7-8,11,15H,2-6,9,19H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).