[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine

C16H22F2N2 — CID 107932929

IUPAC[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1F
InChIInChI=1S/C16H22F2N2/c17-14-12(11-19)3-4-13(15(14)18)20-9-7-16(8-10-20)5-1-2-6-16/h3-4H,1-2,5-11,19H2
InChIKeyKXBREEXTEWVSLF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.58
Rot. Bonds2

About [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine

[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine (PubChem CID 107932929) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine
PubChem CID107932929
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1F
InChIInChI=1S/C16H22F2N2/c17-14-12(11-19)3-4-13(15(14)18)20-9-7-16(8-10-20)5-1-2-6-16/h3-4H,1-2,5-11,19H2
InChIKeyKXBREEXTEWVSLF-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine?
The IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine (CID 107932929) is [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine.
What is the SMILES notation for [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine?
The canonical SMILES for [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine is NCc1ccc(N2CCC3(CCCC3)CC2)c(F)c1F.
What is the InChIKey of [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine?
The InChIKey is KXBREEXTEWVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-14-12(11-19)3-4-13(15(14)18)20-9-7-16(8-10-20)5-1-2-6-16/h3-4H,1-2,5-11,19H2.
What are the key properties of [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine?
[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine has a molecular weight of 280.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine is sourced from PubChem (CID 107932929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).