2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine

C8H18FN — CID 130640163

IUPAC2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CCF)CNC
InChIInChI=1S/C8H18FN/c1-4-8(2,5-6-9)7-10-3/h10H,4-7H2,1-3H3
InChIKeyUBXXXEVEJOIPEO-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine

2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine (PubChem CID 130640163) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
PubChem CID130640163
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CCF)CNC
InChIInChI=1S/C8H18FN/c1-4-8(2,5-6-9)7-10-3/h10H,4-7H2,1-3H3
InChIKeyUBXXXEVEJOIPEO-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
CID 104566582
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
CID 62259060
4-ethyl-N,4-dimethylhexan-1-amine
CID 123387563
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine (CID 130640163) is 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine is CCC(C)(CCF)CNC.
What is the InChIKey of 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine?
The InChIKey is UBXXXEVEJOIPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-8(2,5-6-9)7-10-3/h10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine?
2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 130640163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).