(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol

C15H19NO3 — CID 15246889

IUPAC(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc([C@@H](O)[C@H](C)[C@H](N)c2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-10(14(16)13-4-3-9-19-13)15(17)11-5-7-12(18-2)8-6-11/h3-10,14-15,17H,16H2,1-2H3/t10-,14+,15+/m1/s1
InChIKeyHVLQXBKLGYBTAL-ONERCXAPSA-N
MW261.32 g/mol
LogP2.66
Rot. Bonds5

About (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol

(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 15246889) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID15246889
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc([C@@H](O)[C@H](C)[C@H](N)c2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-10(14(16)13-4-3-9-19-13)15(17)11-5-7-12(18-2)8-6-11/h3-10,14-15,17H,16H2,1-2H3/t10-,14+,15+/m1/s1
InChIKeyHVLQXBKLGYBTAL-ONERCXAPSA-N
XLogP2.66
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 15246890
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
(1R,2R)-2-hydrazinyl-1,2-bis(4-methoxyphenyl)ethanol
CID 124634382
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
CID 15248153
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol (CID 15246889) is (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc([C@@H](O)[C@H](C)[C@H](N)c2ccco2)cc1.
What is the InChIKey of (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is HVLQXBKLGYBTAL-ONERCXAPSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(14(16)13-4-3-9-19-13)15(17)11-5-7-12(18-2)8-6-11/h3-10,14-15,17H,16H2,1-2H3/t10-,14+,15+/m1/s1.
What are the key properties of (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 15246889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).