1-(2,6-difluorophenyl)-N-ethylpentan-1-amine

C13H19F2N — CID 79405772

IUPAC1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-3-5-9-12(16-4-2)13-10(14)7-6-8-11(13)15/h6-8,12,16H,3-5,9H2,1-2H3
InChIKeyIBTCZWWFJFVJLN-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.81
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine

1-(2,6-difluorophenyl)-N-ethylpentan-1-amine (PubChem CID 79405772) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
PubChem CID79405772
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-3-5-9-12(16-4-2)13-10(14)7-6-8-11(13)15/h6-8,12,16H,3-5,9H2,1-2H3
InChIKeyIBTCZWWFJFVJLN-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
1-(3-bromo-2,6-difluorophenyl)-N-ethylheptan-1-amine
CID 106945022
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine (CID 79405772) is 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine?
The InChIKey is IBTCZWWFJFVJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-5-9-12(16-4-2)13-10(14)7-6-8-11(13)15/h6-8,12,16H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine?
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 79405772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).