N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine

C15H18FNS — CID 79991631

IUPACN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(-c2sccc2C)c1
InChIInChI=1S/C15H18FNS/c1-3-7-17-10-12-4-5-14(16)13(9-12)15-11(2)6-8-18-15/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyPEFPYVWHIPTBAJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.36
Rot. Bonds5

About N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine

N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 79991631) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
PubChem CID79991631
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(-c2sccc2C)c1
InChIInChI=1S/C15H18FNS/c1-3-7-17-10-12-4-5-14(16)13(9-12)15-11(2)6-8-18-15/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyPEFPYVWHIPTBAJ-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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Related Compounds

N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[3-chloro-4-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 114076799
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-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene
CID 141064474
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
N-[[4-(1-benzothiophen-7-yl)-3-methylphenyl]methyl]propan-1-amine
CID 81128623
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine (CID 79991631) is N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(F)c(-c2sccc2C)c1.
What is the InChIKey of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is PEFPYVWHIPTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-7-17-10-12-4-5-14(16)13(9-12)15-11(2)6-8-18-15/h4-6,8-9,17H,3,7,10H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine?
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]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-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).