4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine

C11H19NOS — CID 102841429

IUPAC4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCOCC(C)CC(N)c1ccsc1C
InChIInChI=1S/C11H19NOS/c1-8(7-13-3)6-11(12)10-4-5-14-9(10)2/h4-5,8,11H,6-7,12H2,1-3H3
InChIKeyDQTGQXJXQPHKGD-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.73
Rot. Bonds5

About 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine

4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine (PubChem CID 102841429) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
PubChem CID102841429
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCOCC(C)CC(N)c1ccsc1C
InChIInChI=1S/C11H19NOS/c1-8(7-13-3)6-11(12)10-4-5-14-9(10)2/h4-5,8,11H,6-7,12H2,1-3H3
InChIKeyDQTGQXJXQPHKGD-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
CID 55270764
1-(2,6-difluorophenyl)-4-methoxy-3-methylbutan-1-amine
CID 105149316
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
[1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 107362431
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine (CID 102841429) is 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine is COCC(C)CC(N)c1ccsc1C.
What is the InChIKey of 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The InChIKey is DQTGQXJXQPHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8(7-13-3)6-11(12)10-4-5-14-9(10)2/h4-5,8,11H,6-7,12H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine?
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 102841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).