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

C12H21NOS — CID 115615676

IUPAC1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)COCC(C)NCc1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)8-14-9-11(3)13-7-12-5-4-6-15-12/h4-6,10-11,13H,7-9H2,1-3H3
InChIKeyVQBDXIANOWDCAG-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.90
Rot. Bonds7

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

1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 115615676) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID115615676
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)COCC(C)NCc1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)8-14-9-11(3)13-7-12-5-4-6-15-12/h4-6,10-11,13H,7-9H2,1-3H3
InChIKeyVQBDXIANOWDCAG-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine (CID 115615676) is 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine is CC(C)COCC(C)NCc1cccs1.
What is the InChIKey of 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is VQBDXIANOWDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)8-14-9-11(3)13-7-12-5-4-6-15-12/h4-6,10-11,13H,7-9H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine?
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.90, 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-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 115615676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).