1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol

C15H19NO2S — CID 4715930

IUPAC1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H19NO2S/c1-12(17)9-16-10-13-4-6-14(7-5-13)18-11-15-3-2-8-19-15/h2-8,12,16-17H,9-11H2,1H3
InChIKeyIUTFFYDPUPIMQP-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds7

About 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol

1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 4715930) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
PubChem CID4715930
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H19NO2S/c1-12(17)9-16-10-13-4-6-14(7-5-13)18-11-15-3-2-8-19-15/h2-8,12,16-17H,9-11H2,1H3
InChIKeyIUTFFYDPUPIMQP-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
CID 8621370
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(2S)-1-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 7248523
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol (CID 4715930) is 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol is CC(O)CNCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is IUTFFYDPUPIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12(17)9-16-10-13-4-6-14(7-5-13)18-11-15-3-2-8-19-15/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol?
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 4715930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).