(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol

C15H18ClNO2 — CID 97056665

IUPAC(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClNO2/c1-10-3-8-15(19-10)11(2)17-14(9-18)12-4-6-13(16)7-5-12/h3-8,11,14,17-18H,9H2,1-2H3/t11-,14+/m1/s1
InChIKeyWJHLALOATKLEGC-RISCZKNCSA-N
MW279.77 g/mol
LogP3.63
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol

(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol (PubChem CID 97056665) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
PubChem CID97056665
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClNO2/c1-10-3-8-15(19-10)11(2)17-14(9-18)12-4-6-13(16)7-5-12/h3-8,11,14,17-18H,9H2,1-2H3/t11-,14+/m1/s1
InChIKeyWJHLALOATKLEGC-RISCZKNCSA-N
XLogP3.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 67128601
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
CID 61086501
4-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-3-fluorobenzonitrile
CID 110028663
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 43685007
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol (CID 97056665) is (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol is Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)o1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol?
The InChIKey is WJHLALOATKLEGC-RISCZKNCSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10-3-8-15(19-10)11(2)17-14(9-18)12-4-6-13(16)7-5-12/h3-8,11,14,17-18H,9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol?
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol has a molecular weight of 279.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 97056665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).