5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline

C13H18F2N2 — CID 117112812

IUPAC5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(C2(N)CCCC2)cc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(2)11-8-9(7-10(14)12(11)15)13(16)5-3-4-6-13/h7-8H,3-6,16H2,1-2H3
InChIKeyDCKCHNXGUMQYRQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.76
Rot. Bonds2

About 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline

5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline (PubChem CID 117112812) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
PubChem CID117112812
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(C2(N)CCCC2)cc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(2)11-8-9(7-10(14)12(11)15)13(16)5-3-4-6-13/h7-8H,3-6,16H2,1-2H3
InChIKeyDCKCHNXGUMQYRQ-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)-4,5-difluorophenyl]cyclopentane-1-carboxylic acid
CID 117114177
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
CID 117478718
2-(1-aminocyclopentyl)-N,N,4,5-tetramethylaniline
CID 117112822
4-(1-aminocyclohexyl)-2,6-difluorobenzoic acid
CID 117390717
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline?
The IUPAC name of 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline (CID 117112812) is 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline?
The canonical SMILES for 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline is CN(C)c1cc(C2(N)CCCC2)cc(F)c1F.
What is the InChIKey of 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline?
The InChIKey is DCKCHNXGUMQYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(2)11-8-9(7-10(14)12(11)15)13(16)5-3-4-6-13/h7-8H,3-6,16H2,1-2H3.
What are the key properties of 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline?
5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 117112812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).