2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

C15H18FNOS — CID 53273808

IUPAC2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCc1ccc(CNCCc2cccc(F)c2)s1
InChIInChI=1S/C15H18FNOS/c1-18-11-15-6-5-14(19-15)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyUBPJIFUNRRHVRZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 53273808) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID53273808
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCc1ccc(CNCCc2cccc(F)c2)s1
InChIInChI=1S/C15H18FNOS/c1-18-11-15-6-5-14(19-15)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyUBPJIFUNRRHVRZ-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
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-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl{[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]methyl}amine
CID 45244841
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
2-{[(5-Methylthiophen-2-yl)methyl]amino}-1-phenylethanol
CID 4720463
1-(4-Fluorobenzyl)-3-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)urea
CID 71810440
2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 71981378
1-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-3-thenylurea
CID 97553601
thiophen-3-ylmethyl N-[(2,4,5-trifluorophenyl)methyl]carbamate
CID 141082992
[5-(4-Fluorophenyl)thiophen-2-yl]-(propan-2-ylamino)methanol
CID 156256708
[2-[5-(1-aminoethyl)thiophen-2-yl]-6-fluorophenyl]methyl N-methylcarbamate
CID 156495962
1-[2,3-Difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]ethane-1,2-diamine
CID 156902189
(3R)-3-[(2-fluoro-4,5-dihydro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 164172285

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 53273808) is 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is COCc1ccc(CNCCc2cccc(F)c2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is UBPJIFUNRRHVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-18-11-15-6-5-14(19-15)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17H,7-8,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 53273808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).