N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine

C17H18F3N — CID 115526630

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CCNCc1cccc(C(F)F)c1
InChIInChI=1S/C17H18F3N/c1-12-9-16(18)6-5-14(12)7-8-21-11-13-3-2-4-15(10-13)17(19)20/h2-6,9-10,17,21H,7-8,11H2,1H3
InChIKeyIAGJIOIFPLHKLN-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.40
Rot. Bonds6

About N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 115526630) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID115526630
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CCNCc1cccc(C(F)F)c1
InChIInChI=1S/C17H18F3N/c1-12-9-16(18)6-5-14(12)7-8-21-11-13-3-2-4-15(10-13)17(19)20/h2-6,9-10,17,21H,7-8,11H2,1H3
InChIKeyIAGJIOIFPLHKLN-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine 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-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
CID 115526406
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 115908417
4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203416
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115526640
N-[[3-(difluoromethyl)phenyl]methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 115526450
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine (CID 115526630) is N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CCNCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is IAGJIOIFPLHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-9-16(18)6-5-14(12)7-8-21-11-13-3-2-4-15(10-13)17(19)20/h2-6,9-10,17,21H,7-8,11H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.40, 6 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-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 115526630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).