N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine

C16H21F2NO — CID 79895902

IUPACN-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFc1ccc(CNC2CCOC3(CCCC3)C2)c(F)c1
InChIInChI=1S/C16H21F2NO/c17-13-4-3-12(15(18)9-13)11-19-14-5-8-20-16(10-14)6-1-2-7-16/h3-4,9,14,19H,1-2,5-8,10-11H2
InChIKeyRDVPPKVQIHWPEC-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.55
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895902) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895902
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFc1ccc(CNC2CCOC3(CCCC3)C2)c(F)c1
InChIInChI=1S/C16H21F2NO/c17-13-4-3-12(15(18)9-13)11-19-14-5-8-20-16(10-14)6-1-2-7-16/h3-4,9,14,19H,1-2,5-8,10-11H2
InChIKeyRDVPPKVQIHWPEC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-[2-(2,4-dichlorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897553
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 79895902) is N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine is Fc1ccc(CNC2CCOC3(CCCC3)C2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is RDVPPKVQIHWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-13-4-3-12(15(18)9-13)11-19-14-5-8-20-16(10-14)6-1-2-7-16/h3-4,9,14,19H,1-2,5-8,10-11H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 281.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).