(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol

C15H18ClNO3 — CID 97229540

IUPAC(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1[C@H](C)NC[C@H](O)c1ccco1
InChIInChI=1S/C15H18ClNO3/c1-10(12-8-11(16)5-6-14(12)19-2)17-9-13(18)15-4-3-7-20-15/h3-8,10,13,17-18H,9H2,1-2H3/t10-,13-/m0/s1
InChIKeyXJBKWLHHHLCEHU-GWCFXTLKSA-N
MW295.77 g/mol
LogP3.33
Rot. Bonds6

About (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 97229540) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
PubChem CID97229540
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1[C@H](C)NC[C@H](O)c1ccco1
InChIInChI=1S/C15H18ClNO3/c1-10(12-8-11(16)5-6-14(12)19-2)17-9-13(18)15-4-3-7-20-15/h3-8,10,13,17-18H,9H2,1-2H3/t10-,13-/m0/s1
InChIKeyXJBKWLHHHLCEHU-GWCFXTLKSA-N
XLogP3.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 110898147
2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60897326
2-(4-chloro-2,5-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60898821
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
N'-[1-(2,4-dichlorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43093421
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 104546198
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol (CID 97229540) is (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol is COc1ccc(Cl)cc1[C@H](C)NC[C@H](O)c1ccco1.
What is the InChIKey of (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is XJBKWLHHHLCEHU-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(12-8-11(16)5-6-14(12)19-2)17-9-13(18)15-4-3-7-20-15/h3-8,10,13,17-18H,9H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 295.77 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97229540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).