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

C16H22FNO — CID 105010181

IUPAC(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCC3)C2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-11-3-4-13(14(17)9-11)15(18)12-5-8-19-16(10-12)6-2-7-16/h3-4,9,12,15H,2,5-8,10,18H2,1H3
InChIKeyCTPQXFQNKKENBT-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.48
Rot. Bonds2

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

(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010181) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010181
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCC3)C2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-11-3-4-13(14(17)9-11)15(18)12-5-8-19-16(10-12)6-2-7-16/h3-4,9,12,15H,2,5-8,10,18H2,1H3
InChIKeyCTPQXFQNKKENBT-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(2-bromo-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018090
(2-fluoro-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823530

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010181) is (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1ccc(C(N)C2CCOC3(CCC3)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is CTPQXFQNKKENBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-3-4-13(14(17)9-11)15(18)12-5-8-19-16(10-12)6-2-7-16/h3-4,9,12,15H,2,5-8,10,18H2,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).