4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine

C13H23NOS — CID 115723916

IUPAC4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
SMILESCOCCC(C)NCC(C)Cc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(9-13-5-4-8-16-13)10-14-12(2)6-7-15-3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyABPSGXGVYQRCAX-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.94
Rot. Bonds8

About 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine

4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine (PubChem CID 115723916) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
PubChem CID115723916
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
SMILESCOCCC(C)NCC(C)Cc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(9-13-5-4-8-16-13)10-14-12(2)6-7-15-3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyABPSGXGVYQRCAX-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722142
1-(2-methoxyethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111491932
1-(2-methoxyethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111491931
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103178999
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115579604
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673940

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine (CID 115723916) is 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine is COCCC(C)NCC(C)Cc1cccs1.
What is the InChIKey of 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine?
The InChIKey is ABPSGXGVYQRCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11(9-13-5-4-8-16-13)10-14-12(2)6-7-15-3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine?
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine is sourced from PubChem (CID 115723916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).