1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine

C13H23NOS — CID 115889318

IUPAC1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
SMILESCC(C)COCC(C)NC(C)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)8-15-9-11(3)14-12(4)13-6-5-7-16-13/h5-7,10-12,14H,8-9H2,1-4H3
InChIKeyXUQSWFKKUMQXIB-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine

1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine (PubChem CID 115889318) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
PubChem CID115889318
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
SMILESCC(C)COCC(C)NC(C)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)8-15-9-11(3)14-12(4)13-6-5-7-16-13/h5-7,10-12,14H,8-9H2,1-4H3
InChIKeyXUQSWFKKUMQXIB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
N-(2-methylpropoxy)-1-thiophen-2-ylethanamine
CID 82709088
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine?
The IUPAC name of 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine (CID 115889318) is 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine is CC(C)COCC(C)NC(C)c1cccs1.
What is the InChIKey of 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine?
The InChIKey is XUQSWFKKUMQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)8-15-9-11(3)14-12(4)13-6-5-7-16-13/h5-7,10-12,14H,8-9H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine?
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine is sourced from PubChem (CID 115889318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).