(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol

C20H21NO2 — CID 8621990

IUPAC(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(20(22)17-10-6-3-7-11-17)21-14-18-12-13-19(23-18)16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20+/m1/s1
InChIKeyPZQNNDCAUSTISI-QRWLVFNGSA-N
MW307.39 g/mol
LogP4.16
Rot. Bonds6

About (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol

(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol (PubChem CID 8621990) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
PubChem CID8621990
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(20(22)17-10-6-3-7-11-17)21-14-18-12-13-19(23-18)16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20+/m1/s1
InChIKeyPZQNNDCAUSTISI-QRWLVFNGSA-N
XLogP4.16
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916
(1S,2S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636962
(1S,2R)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636969
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
CID 95003395
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol?
The IUPAC name of (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol (CID 8621990) is (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol is C[C@@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol?
The InChIKey is PZQNNDCAUSTISI-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15(20(22)17-10-6-3-7-11-17)21-14-18-12-13-19(23-18)16-8-4-2-5-9-16/h2-13,15,20-22H,14H2,1H3/t15-,20+/m1/s1.
What are the key properties of (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol?
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol has a molecular weight of 307.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 8621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).