2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol

C16H18FNOS — CID 110885670

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14,16,19H,7-8,10-11H2
InChIKeyVKUFACJGAIWDLB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.59
Rot. Bonds6

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 110885670) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID110885670
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14,16,19H,7-8,10-11H2
InChIKeyVKUFACJGAIWDLB-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-[(2-chloro-3-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111462262
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368611
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 71852847
1-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110885669
2-[(3-chloro-4-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111565163

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol (CID 110885670) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol is OC(CN(Cc1cccs1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is VKUFACJGAIWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14,16,19H,7-8,10-11H2.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 291.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110885670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).