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

C16H22FNO — CID 79915576

IUPAC(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCC3)C2)cc1F
InChIInChI=1S/C16H22FNO/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13,15H,2,5-8,10,18H2,1H3
InChIKeyRVBJMSUAJOMDLE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.48
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79915576) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79915576
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCC3)C2)cc1F
InChIInChI=1S/C16H22FNO/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13,15H,2,5-8,10,18H2,1H3
InChIKeyRVBJMSUAJOMDLE-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

(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010165
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79915576) is (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1ccc(C(N)C2CCOC3(CCC3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is RVBJMSUAJOMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13,15H,2,5-8,10,18H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3-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 (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79915576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).