2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline

C13H18F2N2 — CID 117112819

IUPAC2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)ccc(F)c1C1(N)CCCC1
InChIInChI=1S/C13H18F2N2/c1-17(2)12-10(15)6-5-9(14)11(12)13(16)7-3-4-8-13/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyGLYYAUSUQGQTNW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.76
Rot. Bonds2

About 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline

2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline (PubChem CID 117112819) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
PubChem CID117112819
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)ccc(F)c1C1(N)CCCC1
InChIInChI=1S/C13H18F2N2/c1-17(2)12-10(15)6-5-9(14)11(12)13(16)7-3-4-8-13/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyGLYYAUSUQGQTNW-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-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline?
The IUPAC name of 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline (CID 117112819) is 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline is CN(C)c1c(F)ccc(F)c1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline?
The InChIKey is GLYYAUSUQGQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(2)12-10(15)6-5-9(14)11(12)13(16)7-3-4-8-13/h5-6H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline?
2-(1-aminocyclopentyl)-3,6-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 2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 117112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).