N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine

C19H24FN — CID 64984782

IUPACN-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2cc(C)c(C)cc2C)ccc1F
InChIInChI=1S/C19H24FN/c1-5-8-21-12-17-11-16(6-7-19(17)20)18-10-14(3)13(2)9-15(18)4/h6-7,9-11,21H,5,8,12H2,1-4H3
InChIKeyQIUTYRWJQUEBMZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.92
Rot. Bonds5

About N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 64984782) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID64984782
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2cc(C)c(C)cc2C)ccc1F
InChIInChI=1S/C19H24FN/c1-5-8-21-12-17-11-16(6-7-19(17)20)18-10-14(3)13(2)9-15(18)4/h6-7,9-11,21H,5,8,12H2,1-4H3
InChIKeyQIUTYRWJQUEBMZ-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-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 62801701
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 66272311
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine (CID 64984782) is N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cc(-c2cc(C)c(C)cc2C)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is QIUTYRWJQUEBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-8-21-12-17-11-16(6-7-19(17)20)18-10-14(3)13(2)9-15(18)4/h6-7,9-11,21H,5,8,12H2,1-4H3.
What are the key properties of N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-5-(2,4,5-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-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 64984782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).