N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine

C13H19F2N — CID 115525884

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cccc(C(F)F)c1
InChIInChI=1S/C13H19F2N/c1-4-13(2,3)16-9-10-6-5-7-11(8-10)12(14)15/h5-8,12,16H,4,9H2,1-3H3
InChIKeyZFLOTNBPIYXTFV-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.90
Rot. Bonds5

About N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine

N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine (PubChem CID 115525884) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
PubChem CID115525884
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cccc(C(F)F)c1
InChIInChI=1S/C13H19F2N/c1-4-13(2,3)16-9-10-6-5-7-11(8-10)12(14)15/h5-8,12,16H,4,9H2,1-3H3
InChIKeyZFLOTNBPIYXTFV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-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

2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine
CID 115526603
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744
N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
CID 115526695
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine (CID 115525884) is N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine?
The InChIKey is ZFLOTNBPIYXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-13(2,3)16-9-10-6-5-7-11(8-10)12(14)15/h5-8,12,16H,4,9H2,1-3H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115525884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).