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

C19H24FN — CID 63425094

IUPACN-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H24FN/c1-5-8-21-12-16-6-7-18(20)17(11-16)19-14(3)9-13(2)10-15(19)4/h6-7,9-11,21H,5,8,12H2,1-4H3
InChIKeyXWQJTYNNBFMURF-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.92
Rot. Bonds5

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

N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 63425094) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID63425094
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H24FN/c1-5-8-21-12-16-6-7-18(20)17(11-16)19-14(3)9-13(2)10-15(19)4/h6-7,9-11,21H,5,8,12H2,1-4H3
InChIKeyXWQJTYNNBFMURF-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
N-[[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]methyl]propan-1-amine
CID 103341605
N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 64855274
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine (CID 63425094) is N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(F)c(-c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is XWQJTYNNBFMURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-8-21-12-16-6-7-18(20)17(11-16)19-14(3)9-13(2)10-15(19)4/h6-7,9-11,21H,5,8,12H2,1-4H3.
What are the key properties of N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63425094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).