(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol

C12H17ClFNO2 — CID 97158414

IUPAC(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
SMILESCOC[C@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-8(7-17-2)15-12(6-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3/t8-,12-/m0/s1
InChIKeyORACAUYFUIZNBX-UFBFGSQYSA-N
MW261.72 g/mol
LogP2.14
Rot. Bonds6

About (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol

(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol (PubChem CID 97158414) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
PubChem CID97158414
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
SMILESCOC[C@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-8(7-17-2)15-12(6-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3/t8-,12-/m0/s1
InChIKeyORACAUYFUIZNBX-UFBFGSQYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol with MolForge

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Related Compounds

tert-butyl 3-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 110013383
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2S)-N-[(R)-(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 99855709
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693456
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62071197
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol?
The IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol (CID 97158414) is (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol?
The canonical SMILES for (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol is COC[C@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol?
The InChIKey is ORACAUYFUIZNBX-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-8(7-17-2)15-12(6-16)9-3-4-10(13)11(14)5-9/h3-5,8,12,15-16H,6-7H2,1-2H3/t8-,12-/m0/s1.
What are the key properties of (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol?
(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol has a molecular weight of 261.72 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol is sourced from PubChem (CID 97158414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).