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

C12H21NOS — CID 62585075

IUPAC2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCCOC(C)CNCc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyZXGLCKAJFDUIML-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.04
Rot. Bonds8

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

2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62585075) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62585075
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCCOC(C)CNCc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyZXGLCKAJFDUIML-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135
2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62584061
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63937189
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62585075) is 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine is CCCCOC(C)CNCc1cccs1.
What is the InChIKey of 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is ZXGLCKAJFDUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-4-7-14-11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62585075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).