N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine

C14H21F2N — CID 78966818

IUPACN-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-10(14(2,3)4)8-17-9-11-7-12(15)5-6-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyPDLLHQNHPFKZBQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.74
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine

N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 78966818) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
PubChem CID78966818
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-10(14(2,3)4)8-17-9-11-7-12(15)5-6-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyPDLLHQNHPFKZBQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-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

4-fluoro-2-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 107904704
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
CID 83143874
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine (CID 78966818) is N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine is CC(CNCc1cc(F)ccc1F)C(C)(C)C.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is PDLLHQNHPFKZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-10(14(2,3)4)8-17-9-11-7-12(15)5-6-13(11)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 78966818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).