N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine

C17H20FN — CID 81447432

IUPACN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(C)c2)c(F)c1
InChIInChI=1S/C17H20FN/c1-3-9-19-12-14-7-8-16(17(18)11-14)15-6-4-5-13(2)10-15/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeySNKKPYNSLYIEBB-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.30
Rot. Bonds5

About N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine

N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 81447432) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID81447432
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(C)c2)c(F)c1
InChIInChI=1S/C17H20FN/c1-3-9-19-12-14-7-8-16(17(18)11-14)15-6-4-5-13(2)10-15/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeySNKKPYNSLYIEBB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.30
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-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730
N-[(3-fluoro-4-thiophen-3-ylphenyl)methyl]propan-1-amine
CID 81447253
N-[[5-chloro-2-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66161087
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 112749809
N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 81448151
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine (CID 81447432) is N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(C)c2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is SNKKPYNSLYIEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-9-19-12-14-7-8-16(17(18)11-14)15-6-4-5-13(2)10-15/h4-8,10-11,19H,3,9,12H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 81447432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).