(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol

C13H13ClFNO2 — CID 99850577

IUPAC(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
SMILESOC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClFNO2/c14-10-6-9(3-4-11(10)15)7-16-12(8-17)13-2-1-5-18-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1
InChIKeyPKZZMWUEXSTBLZ-GFCCVEGCSA-N
MW269.70 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol

(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol (PubChem CID 99850577) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
PubChem CID99850577
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
SMILESOC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClFNO2/c14-10-6-9(3-4-11(10)15)7-16-12(8-17)13-2-1-5-18-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1
InChIKeyPKZZMWUEXSTBLZ-GFCCVEGCSA-N
XLogP2.90
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 97078736
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 103039972
(2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81145636
3-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 109482052
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
CID 111478435
5-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-2-methoxybenzonitrile
CID 111470533
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
N-[(3-chloro-4-fluorophenyl)methyl]-1-iodo-3-methylbutan-2-amine
CID 107859379
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The IUPAC name of (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol (CID 99850577) is (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The canonical SMILES for (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol is OC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccco1.
What is the InChIKey of (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The InChIKey is PKZZMWUEXSTBLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c14-10-6-9(3-4-11(10)15)7-16-12(8-17)13-2-1-5-18-13/h1-6,12,16-17H,7-8H2/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol has a molecular weight of 269.70 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 99850577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).