N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine

C18H21F2N — CID 106878531

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-8-21-18(14-6-5-7-15(19)11-14)17-12(2)9-16(20)10-13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3
InChIKeyZIZVTFDILRNPIB-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

About N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine

N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 106878531) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID106878531
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-8-21-18(14-6-5-7-15(19)11-14)17-12(2)9-16(20)10-13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3
InChIKeyZIZVTFDILRNPIB-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-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

N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3-bromo-2-methylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791846
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791800
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 106878531) is N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is ZIZVTFDILRNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-8-21-18(14-6-5-7-15(19)11-14)17-12(2)9-16(20)10-13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106878531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).