N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine

C15H18FNOS — CID 63937601

IUPACN-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCc1ccccc1F)c1cccs1
InChIInChI=1S/C15H18FNOS/c1-12(15-7-4-10-19-15)17-8-9-18-11-13-5-2-3-6-14(13)16/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyMPIKGTIFCQRCPT-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.75
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine

N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 63937601) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine
PubChem CID63937601
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCc1ccccc1F)c1cccs1
InChIInChI=1S/C15H18FNOS/c1-12(15-7-4-10-19-15)17-8-9-18-11-13-5-2-3-6-14(13)16/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyMPIKGTIFCQRCPT-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethyl]piperazine
CID 44358247
1-Benzyloxy-3-[(2-thienylmethyl)amino]propan-2-ol
CID 44427655
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
1-(4-Fluorobenzyl)-3-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)urea
CID 71810440
1-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-3-thenylurea
CID 97553601
2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 71981378
(1S)-1-(3-methylthiophen-2-yl)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]ethanamine
CID 97322369
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
CID 23186942
(4S)-2-(1-Benzothien-2-yl)-4-isobutyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 59229662
2-(1-Benzothiophen-2-yl)-4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68422757
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine;hydrochloride
CID 88401993
(2S,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
CID 88401997

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine (CID 63937601) is N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine is CC(NCCOCc1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is MPIKGTIFCQRCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-12(15-7-4-10-19-15)17-8-9-18-11-13-5-2-3-6-14(13)16/h2-7,10,12,17H,8-9,11H2,1H3.
What are the key properties of N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methoxy]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63937601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).