N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C17H22FNOS — CID 82991870

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cc(C(C)NCC(C)(C)c2cccs2)ccc1F
InChIInChI=1S/C17H22FNOS/c1-12(13-7-8-14(18)15(10-13)20-4)19-11-17(2,3)16-6-5-9-21-16/h5-10,12,19H,11H2,1-4H3
InChIKeyVPWXOUKYRTZMNG-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 82991870) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID82991870
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1cc(C(C)NCC(C)(C)c2cccs2)ccc1F
InChIInChI=1S/C17H22FNOS/c1-12(13-7-8-14(18)15(10-13)20-4)19-11-17(2,3)16-6-5-9-21-16/h5-10,12,19H,11H2,1-4H3
InChIKeyVPWXOUKYRTZMNG-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
(2R)-1-[[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 124881517
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526182
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 82991870) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is COc1cc(C(C)NCC(C)(C)c2cccs2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is VPWXOUKYRTZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-12(13-7-8-14(18)15(10-13)20-4)19-11-17(2,3)16-6-5-9-21-16/h5-10,12,19H,11H2,1-4H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 82991870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).