2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline

C17H24FNO — CID 102896766

IUPAC2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H24FNO/c1-13-5-6-15(18)16(11-13)19-12-14-7-10-17(20-14)8-3-2-4-9-17/h5-6,11,14,19H,2-4,7-10,12H2,1H3
InChIKeyLPGPFRDUTNXPNM-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.43
Rot. Bonds3

About 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline

2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline (PubChem CID 102896766) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
PubChem CID102896766
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
SMILESCc1ccc(F)c(NCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H24FNO/c1-13-5-6-15(18)16(11-13)19-12-14-7-10-17(20-14)8-3-2-4-9-17/h5-6,11,14,19H,2-4,7-10,12H2,1H3
InChIKeyLPGPFRDUTNXPNM-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896854
2-fluoro-5-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897506
2,5-dichloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896565
2-chloro-4-fluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896790
2-bromo-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102897644
2-fluoro-5-(1-oxaspiro[4.5]decan-2-ylmethylamino)benzonitrile
CID 102847090
N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
3-bromo-5-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 107583161
4-bromo-2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896799
2-chloro-4-iodo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 107606565
4-bromo-3,5-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 107573556
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline (CID 102896766) is 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline is Cc1ccc(F)c(NCC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The InChIKey is LPGPFRDUTNXPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-5-6-15(18)16(11-13)19-12-14-7-10-17(20-14)8-3-2-4-9-17/h5-6,11,14,19H,2-4,7-10,12H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline has a molecular weight of 277.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline is sourced from PubChem (CID 102896766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).