(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol

C16H18FNOS — CID 63371267

IUPAC(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18FNOS/c1-11(19)16-14(17)3-2-4-15(16)18(13-5-6-13)9-12-7-8-20-10-12/h2-4,7-8,10-11,13,19H,5-6,9H2,1H3/t11-/m1/s1
InChIKeyFEUGAZJSNKSPTM-LLVKDONJSA-N
MW291.39 g/mol
LogP4.11
Rot. Bonds5

About (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol

(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 63371267) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
PubChem CID63371267
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18FNOS/c1-11(19)16-14(17)3-2-4-15(16)18(13-5-6-13)9-12-7-8-20-10-12/h2-4,7-8,10-11,13,19H,5-6,9H2,1H3/t11-/m1/s1
InChIKeyFEUGAZJSNKSPTM-LLVKDONJSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-fluorophenyl]ethanol
CID 61434878
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorophenyl]ethanol
CID 61434629
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 61434640
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 61435368
1-N-cyclopropyl-4-fluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 61434045
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorobenzoic acid
CID 61434471
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol (CID 63371267) is (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is FEUGAZJSNKSPTM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11(19)16-14(17)3-2-4-15(16)18(13-5-6-13)9-12-7-8-20-10-12/h2-4,7-8,10-11,13,19H,5-6,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol?
(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 63371267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).