1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine

C13H21NO2S — CID 62382577

IUPAC1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-10(14)13(12-4-7-17-9-12)16-8-11-2-5-15-6-3-11/h4,7,9-11,13H,2-3,5-6,8,14H2,1H3
InChIKeyBMQGRDLFGFNROD-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.58
Rot. Bonds5

About 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine

1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine (PubChem CID 62382577) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
PubChem CID62382577
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(OCC1CCOCC1)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-10(14)13(12-4-7-17-9-12)16-8-11-2-5-15-6-3-11/h4,7,9-11,13H,2-3,5-6,8,14H2,1H3
InChIKeyBMQGRDLFGFNROD-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
[2-(oxan-4-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196721
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
CID 66321305
4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
CID 62382952
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
CID 145282703
2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
CID 62994820
1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
CID 103486697
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine (CID 62382577) is 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine is CC(N)C(OCC1CCOCC1)c1ccsc1.
What is the InChIKey of 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is BMQGRDLFGFNROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(14)13(12-4-7-17-9-12)16-8-11-2-5-15-6-3-11/h4,7,9-11,13H,2-3,5-6,8,14H2,1H3.
What are the key properties of 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine?
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62382577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).