(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C17H23F2NO — CID 105016664

IUPAC(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCCC3)C2)c(F)cc1F
InChIInChI=1S/C17H23F2NO/c1-11-8-13(15(19)9-14(11)18)16(20)12-4-7-21-17(10-12)5-2-3-6-17/h8-9,12,16H,2-7,10,20H2,1H3
InChIKeyTXPPXXXLHQODIU-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.01
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016664) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016664
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCCC3)C2)c(F)cc1F
InChIInChI=1S/C17H23F2NO/c1-11-8-13(15(19)9-14(11)18)16(20)12-4-7-21-17(10-12)5-2-3-6-17/h8-9,12,16H,2-7,10,20H2,1H3
InChIKeyTXPPXXXLHQODIU-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.01
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-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(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
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016664) is (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is Cc1cc(C(N)C2CCOC3(CCCC3)C2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is TXPPXXXLHQODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-11-8-13(15(19)9-14(11)18)16(20)12-4-7-21-17(10-12)5-2-3-6-17/h8-9,12,16H,2-7,10,20H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 295.37 g/mol, XLogP of 4.01, 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)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).