1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine

C18H25NOS — CID 63458598

IUPAC1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
SMILESCCC(C)(C)c1ccc(OC(c2cccs2)C(C)N)cc1
InChIInChI=1S/C18H25NOS/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(13(2)19)16-7-6-12-21-16/h6-13,17H,5,19H2,1-4H3
InChIKeyDKJQNEAJNHRELA-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.90
Rot. Bonds6

About 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine

1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine (PubChem CID 63458598) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
PubChem CID63458598
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
SMILESCCC(C)(C)c1ccc(OC(c2cccs2)C(C)N)cc1
InChIInChI=1S/C18H25NOS/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(13(2)19)16-7-6-12-21-16/h6-13,17H,5,19H2,1-4H3
InChIKeyDKJQNEAJNHRELA-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine
CID 175064848
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566523
1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
CID 55020955
2-(4-bromothiophen-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 63458594
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine (CID 63458598) is 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine is CCC(C)(C)c1ccc(OC(c2cccs2)C(C)N)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is DKJQNEAJNHRELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(13(2)19)16-7-6-12-21-16/h6-13,17H,5,19H2,1-4H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine?
1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 63458598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).