N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H22FNOS — CID 107696673

IUPACN-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C17H22FNOS/c1-17(2,3)19-12-13-11-14(18)6-7-16(13)20-9-8-15-5-4-10-21-15/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyPRKBIBDWURURFY-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.40
Rot. Bonds6

About N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107696673) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107696673
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC NameN-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C17H22FNOS/c1-17(2,3)19-12-13-11-14(18)6-7-16(13)20-9-8-15-5-4-10-21-15/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyPRKBIBDWURURFY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
N-[[3-bromo-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63774723
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-(2-thiophen-2-ylethoxy)aniline
CID 168582103

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 107696673) is N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(F)ccc1OCCc1cccs1.
What is the InChIKey of N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PRKBIBDWURURFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-17(2,3)19-12-13-11-14(18)6-7-16(13)20-9-8-15-5-4-10-21-15/h4-7,10-11,19H,8-9,12H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).