2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

C20H20FNOS — CID 4723288

IUPAC2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESFc1ccccc1CCNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H20FNOS/c21-20-6-2-1-4-17(20)11-12-22-14-16-7-9-18(10-8-16)23-15-19-5-3-13-24-19/h1-10,13,22H,11-12,14-15H2
InChIKeyHRPOQVMSHCHNTD-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.80
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 4723288) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID4723288
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESFc1ccccc1CCNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H20FNOS/c21-20-6-2-1-4-17(20)11-12-22-14-16-7-9-18(10-8-16)23-15-19-5-3-13-24-19/h1-10,13,22H,11-12,14-15H2
InChIKeyHRPOQVMSHCHNTD-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine
CID 16109482
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]ethanamine
CID 16109492
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[2-(2-thienylmethoxy)benzyl]cyclohexanamine hydrochloride
CID 2942144
[3-(Benzyloxy)benzyl](2-thienylmethyl)amine hydrochloride
CID 2959648
[4-(Benzyloxy)benzyl](2-thienylmethyl)amine hydrochloride
CID 2960752
(4-Benzyloxy-3-methoxy-benzyl)-thiophen-2-ylmethyl-amine
CID 2964134
tert-Butyl-[2-(thiophen-2-ylmethoxy)-benzyl]-amine
CID 11957322
(R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyrrolidine
CID 44818806
(S)-2-((4-(4-(thiophen-2-yl)benzyl)phenoxy)methyl)piperidine
CID 46888192
1-[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(2-methoxythiophen-3-yl)methyl]methanamine;hydrochloride
CID 137642593

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (CID 4723288) is 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is Fc1ccccc1CCNCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is HRPOQVMSHCHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c21-20-6-2-1-4-17(20)11-12-22-14-16-7-9-18(10-8-16)23-15-19-5-3-13-24-19/h1-10,13,22H,11-12,14-15H2.
What are the key properties of 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 4723288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).