N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine

C13H19F2N — CID 43191491

IUPACN-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-4-5-9(2)16-10(3)12-8-11(14)6-7-13(12)15/h6-10,16H,4-5H2,1-3H3
InChIKeyMBQNIAHTOOFWIK-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.80
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine (PubChem CID 43191491) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
PubChem CID43191491
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-4-5-9(2)16-10(3)12-8-11(14)6-7-13(12)15/h6-10,16H,4-5H2,1-3H3
InChIKeyMBQNIAHTOOFWIK-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,5-difluorophenyl)ethyl]pentan-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-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine (CID 43191491) is N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The InChIKey is MBQNIAHTOOFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-5-9(2)16-10(3)12-8-11(14)6-7-13(12)15/h6-10,16H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43191491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).