4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine

C12H21NOS — CID 115722142

IUPAC4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCOCCC(C)NCC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(12-5-4-8-15-12)9-13-11(2)6-7-14-3/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyBPSWYQQNNDXTNK-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.87
Rot. Bonds7

About 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine

4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine (PubChem CID 115722142) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
PubChem CID115722142
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCOCCC(C)NCC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(12-5-4-8-15-12)9-13-11(2)6-7-14-3/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyBPSWYQQNNDXTNK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585473
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine (CID 115722142) is 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine is COCCC(C)NCC(C)c1cccs1.
What is the InChIKey of 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The InChIKey is BPSWYQQNNDXTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(12-5-4-8-15-12)9-13-11(2)6-7-14-3/h4-5,8,10-11,13H,6-7,9H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine is sourced from PubChem (CID 115722142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).