N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine

C16H25F2N — CID 43746058

IUPACN-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-5-6-7-9-12(2)19-13(3)16-14(17)10-8-11-15(16)18/h8,10-13,19H,4-7,9H2,1-3H3
InChIKeyJFKRHKOVNKWZFY-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.97
Rot. Bonds8

About N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine

N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine (PubChem CID 43746058) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
PubChem CID43746058
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-5-6-7-9-12(2)19-13(3)16-14(17)10-8-11-15(16)18/h8,10-13,19H,4-7,9H2,1-3H3
InChIKeyJFKRHKOVNKWZFY-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(2,6-difluorophenyl)ethyl]octan-2-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

N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine (CID 43746058) is N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine is CCCCCCC(C)NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine?
The InChIKey is JFKRHKOVNKWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-5-6-7-9-12(2)19-13(3)16-14(17)10-8-11-15(16)18/h8,10-13,19H,4-7,9H2,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine?
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine is sourced from PubChem (CID 43746058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).