2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol

C16H19NOS — CID 54982811

IUPAC2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC(c2cccs2)C2CC2)cc1
InChIInChI=1S/C16H19NOS/c18-10-9-12-3-7-14(8-4-12)17-16(13-5-6-13)15-2-1-11-19-15/h1-4,7-8,11,13,16-18H,5-6,9-10H2
InChIKeyVINFYXIHTMAQLI-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.85
Rot. Bonds6

About 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol

2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol (PubChem CID 54982811) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
PubChem CID54982811
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC(c2cccs2)C2CC2)cc1
InChIInChI=1S/C16H19NOS/c18-10-9-12-3-7-14(8-4-12)17-16(13-5-6-13)15-2-1-11-19-15/h1-4,7-8,11,13,16-18H,5-6,9-10H2
InChIKeyVINFYXIHTMAQLI-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol (CID 54982811) is 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol is OCCc1ccc(NC(c2cccs2)C2CC2)cc1.
What is the InChIKey of 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol?
The InChIKey is VINFYXIHTMAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-10-9-12-3-7-14(8-4-12)17-16(13-5-6-13)15-2-1-11-19-15/h1-4,7-8,11,13,16-18H,5-6,9-10H2.
What are the key properties of 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol?
2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol has a molecular weight of 273.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 54982811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).