1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine

C13H18F2N2 — CID 107397225

IUPAC1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
SMILESCCN(CC1CCC1)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2/c1-2-17(8-9-4-3-5-9)13-11(14)6-10(16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyWUFKGPROGOWPLC-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.17
Rot. Bonds4

About 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine

1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine (PubChem CID 107397225) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
PubChem CID107397225
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
SMILESCCN(CC1CCC1)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2/c1-2-17(8-9-4-3-5-9)13-11(14)6-10(16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyWUFKGPROGOWPLC-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 107398799
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
CID 107397082
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83164113
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
CID 107397185

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine (CID 107397225) is 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine is CCN(CC1CCC1)c1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The InChIKey is WUFKGPROGOWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-17(8-9-4-3-5-9)13-11(14)6-10(16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine has a molecular weight of 240.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 107397225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).