N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine

C12H17F2N — CID 62604630

IUPACN-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-9(2)15-5-4-10-6-11(13)8-12(14)7-10/h6-9,15H,3-5H2,1-2H3
InChIKeyXXTZHXRKMZAXFC-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine

N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine (PubChem CID 62604630) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
PubChem CID62604630
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-9(2)15-5-4-10-6-11(13)8-12(14)7-10/h6-9,15H,3-5H2,1-2H3
InChIKeyXXTZHXRKMZAXFC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62306110

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine (CID 62604630) is N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine is CCC(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine?
The InChIKey is XXTZHXRKMZAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-9(2)15-5-4-10-6-11(13)8-12(14)7-10/h6-9,15H,3-5H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine is sourced from PubChem (CID 62604630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).