N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C17H20FNOS — CID 61060381

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(F)c(-c2cccs2)c1)C1CCCO1
InChIInChI=1S/C17H20FNOS/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h3,5-7,9-10,12,16,19H,2,4,8,11H2,1H3
InChIKeyMUTMICGRXSMOHV-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.21
Rot. Bonds5

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 61060381) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID61060381
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(F)c(-c2cccs2)c1)C1CCCO1
InChIInChI=1S/C17H20FNOS/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h3,5-7,9-10,12,16,19H,2,4,8,11H2,1H3
InChIKeyMUTMICGRXSMOHV-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine 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

2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine
CID 129158560
2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 129158573
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 129158658
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-[(4-methylthiophen-2-yl)methyl]ethanamine
CID 129158669
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 129158671
2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]-N-(thiophen-2-ylmethyl)ethanamine
CID 129158742
(2S)-1-[[1-(5-ethylthiophen-2-yl)cyclohexyl]amino]-4-(3-fluoro-5-methylphenyl)butan-2-ol
CID 143083224
4-(3-Fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 143083225
3-[(4-fluorophenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 8476182
3-[(4-fluorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 8476187
N-[1-(2,4-difluorophenyl)ethyl]-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 24490675
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 26650549

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 61060381) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1ccc(F)c(-c2cccs2)c1)C1CCCO1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is MUTMICGRXSMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h3,5-7,9-10,12,16,19H,2,4,8,11H2,1H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61060381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).