N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine

C13H14FNOS — CID 82709130

IUPACN-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
SMILESCCONCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C13H14FNOS/c1-2-16-15-9-10-5-6-12(14)11(8-10)13-4-3-7-17-13/h3-8,15H,2,9H2,1H3
InChIKeyAJLCIYBOGKDPFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds5

About N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine

N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine (PubChem CID 82709130) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
PubChem CID82709130
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC NameN-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
SMILESCCONCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C13H14FNOS/c1-2-16-15-9-10-5-6-12(14)11(8-10)13-4-3-7-17-13/h3-8,15H,2,9H2,1H3
InChIKeyAJLCIYBOGKDPFR-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The IUPAC name of N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine (CID 82709130) is N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine.
What is the SMILES notation for N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The canonical SMILES for N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine is CCONCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The InChIKey is AJLCIYBOGKDPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-16-15-9-10-5-6-12(14)11(8-10)13-4-3-7-17-13/h3-8,15H,2,9H2,1H3.
What are the key properties of N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine is sourced from PubChem (CID 82709130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).