1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine

C15H24F2N2 — CID 55011696

IUPAC1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
SMILESCC(N(C)C(CN)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C15H24F2N2/c1-10(15(2,3)4)19(5)14(9-18)11-6-7-12(16)13(17)8-11/h6-8,10,14H,9,18H2,1-5H3
InChIKeyKUHUQAMMJSKWLN-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine

1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 55011696) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
PubChem CID55011696
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
SMILESCC(N(C)C(CN)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C15H24F2N2/c1-10(15(2,3)4)19(5)14(9-18)11-6-7-12(16)13(17)8-11/h6-8,10,14H,9,18H2,1-5H3
InChIKeyKUHUQAMMJSKWLN-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913506
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658587
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
1-(4-chlorothiophen-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 79427389
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
CID 82282338
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine (CID 55011696) is 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine is CC(N(C)C(CN)c1ccc(F)c(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is KUHUQAMMJSKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-10(15(2,3)4)19(5)14(9-18)11-6-7-12(16)13(17)8-11/h6-8,10,14H,9,18H2,1-5H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine?
1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 55011696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).