2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine

C14H23FN2 — CID 79061366

IUPAC2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyQAJVJQNFTKEXMS-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds5

About 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine

2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 79061366) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID79061366
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyQAJVJQNFTKEXMS-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 124511355
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 106942739
1-(4-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933363
2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79062206
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine (CID 79061366) is 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine is CCC(CC)(C(N)c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is QAJVJQNFTKEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).