(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol

C16H22N2O2 — CID 97160729

IUPAC(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
SMILESC[C@@H](NC[C@H](O)c1ccco1)c1ccccc1N(C)C
InChIInChI=1S/C16H22N2O2/c1-12(13-7-4-5-8-14(13)18(2)3)17-11-15(19)16-9-6-10-20-16/h4-10,12,15,17,19H,11H2,1-3H3/t12-,15+/m1/s1
InChIKeyOBSWWRDZDPWWRZ-DOMZBBRYSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds6

About (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 97160729) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
PubChem CID97160729
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
SMILESC[C@@H](NC[C@H](O)c1ccco1)c1ccccc1N(C)C
InChIInChI=1S/C16H22N2O2/c1-12(13-7-4-5-8-14(13)18(2)3)17-11-15(19)16-9-6-10-20-16/h4-10,12,15,17,19H,11H2,1-3H3/t12-,15+/m1/s1
InChIKeyOBSWWRDZDPWWRZ-DOMZBBRYSA-N
XLogP2.73
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229540
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
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
(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
CID 99852082
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol (CID 97160729) is (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol is C[C@@H](NC[C@H](O)c1ccco1)c1ccccc1N(C)C.
What is the InChIKey of (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is OBSWWRDZDPWWRZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(13-7-4-5-8-14(13)18(2)3)17-11-15(19)16-9-6-10-20-16/h4-10,12,15,17,19H,11H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97160729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).