N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine

C15H18FNS — CID 43287368

IUPACN-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C15H18FNS/c1-3-8-17-10-12-5-7-15(18-12)13-9-11(2)4-6-14(13)16/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyFVVYOQKDCGWLRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.36
Rot. Bonds5

About N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 43287368) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID43287368
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C15H18FNS/c1-3-8-17-10-12-5-7-15(18-12)13-9-11(2)4-6-14(13)16/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyFVVYOQKDCGWLRD-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine (CID 43287368) is N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(C)ccc2F)s1.
What is the InChIKey of N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is FVVYOQKDCGWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-8-17-10-12-5-7-15(18-12)13-9-11(2)4-6-14(13)16/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43287368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).