N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H21F2NO2 — CID 79118640

IUPACN-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1cccc(F)c1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21F2NO2/c1-19(11-12-3-2-4-14(17)15(12)18)13-5-7-16(8-6-13)20-9-10-21-16/h2-4,13H,5-11H2,1H3
InChIKeyHQINEKAMTAFUDA-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.08
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79118640) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79118640
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1cccc(F)c1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21F2NO2/c1-19(11-12-3-2-4-14(17)15(12)18)13-5-7-16(8-6-13)20-9-10-21-16/h2-4,13H,5-11H2,1H3
InChIKeyHQINEKAMTAFUDA-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595611
N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595615
N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595617
8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595626
N,N-dimethyl-8-(4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595619
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 103046621
(8-Allyl-1,4-dioxaspiro[4.5]dec-8-yl)-benzyl-amine
CID 11818538
N,N-dibenzyl-1-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)cyclopropan-1-amine
CID 21670167
9-Benzyl-11-iodo-1,4-dioxa-9-azadispiro[4.2.4.2]tetradecane
CID 67075634
N-benzyl-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 72112807
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
N-[(1S)-2-cyclobutyl-1-phenylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99715672

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79118640) is N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1cccc(F)c1F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is HQINEKAMTAFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-19(11-12-3-2-4-14(17)15(12)18)13-5-7-16(8-6-13)20-9-10-21-16/h2-4,13H,5-11H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 297.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79118640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).