1-(2,5-difluorophenyl)-N-ethylbutan-1-amine

C12H17F2N — CID 43490158

IUPAC1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-3-5-12(15-4-2)10-8-9(13)6-7-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyDIOSUPOYTTVHKQ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine

1-(2,5-difluorophenyl)-N-ethylbutan-1-amine (PubChem CID 43490158) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
PubChem CID43490158
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-3-5-12(15-4-2)10-8-9(13)6-7-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyDIOSUPOYTTVHKQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine (CID 43490158) is 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine?
The InChIKey is DIOSUPOYTTVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-5-12(15-4-2)10-8-9(13)6-7-11(10)14/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine?
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 43490158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).