2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol

C16H21NOS — CID 43818907

IUPAC2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
SMILESCC(CN(CCO)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-14(15-6-3-2-4-7-15)12-17(9-10-18)13-16-8-5-11-19-16/h2-8,11,14,18H,9-10,12-13H2,1H3
InChIKeyRMKWJADYBVERGF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.35
Rot. Bonds7

About 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol

2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 43818907) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID43818907
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
SMILESCC(CN(CCO)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-14(15-6-3-2-4-7-15)12-17(9-10-18)13-16-8-5-11-19-16/h2-8,11,14,18H,9-10,12-13H2,1H3
InChIKeyRMKWJADYBVERGF-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
CID 135097925
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
CID 42837186
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
CID 134702822
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol (CID 43818907) is 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol is CC(CN(CCO)Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is RMKWJADYBVERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-14(15-6-3-2-4-7-15)12-17(9-10-18)13-16-8-5-11-19-16/h2-8,11,14,18H,9-10,12-13H2,1H3.
What are the key properties of 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol?
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 275.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 43818907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).