2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine

C17H22FNOS — CID 62717744

IUPAC2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOCCNCC(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-20-9-8-19-13-14(12-16-6-4-10-21-16)11-15-5-2-3-7-17(15)18/h2-7,10,14,19H,8-9,11-13H2,1H3
InChIKeyNWVPBRHFYQDRAM-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.52
Rot. Bonds9

About 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine

2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 62717744) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID62717744
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOCCNCC(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-20-9-8-19-13-14(12-16-6-4-10-21-16)11-15-5-2-3-7-17(15)18/h2-7,10,14,19H,8-9,11-13H2,1H3
InChIKeyNWVPBRHFYQDRAM-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.52
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-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62718053
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine (CID 62717744) is 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine is COCCNCC(Cc1cccs1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is NWVPBRHFYQDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-20-9-8-19-13-14(12-16-6-4-10-21-16)11-15-5-2-3-7-17(15)18/h2-7,10,14,19H,8-9,11-13H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).