(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol

C20H19Cl2NO2 — CID 8622717

IUPAC(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
SMILESC[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H19Cl2NO2/c1-13(20(24)14-5-3-2-4-6-14)23-12-18-7-8-19(25-18)15-9-16(21)11-17(22)10-15/h2-11,13,20,23-24H,12H2,1H3/t13-,20+/m1/s1
InChIKeyRXJHWJVVFQJHSU-XCLFUZPHSA-N
MW376.28 g/mol
LogP5.47
Rot. Bonds6

About (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol

(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol (PubChem CID 8622717) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
PubChem CID8622717
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
SMILESC[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H19Cl2NO2/c1-13(20(24)14-5-3-2-4-6-14)23-12-18-7-8-19(25-18)15-9-16(21)11-17(22)10-15/h2-11,13,20,23-24H,12H2,1H3/t13-,20+/m1/s1
InChIKeyRXJHWJVVFQJHSU-XCLFUZPHSA-N
XLogP5.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
(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
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol (CID 8622717) is (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol is C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol?
The InChIKey is RXJHWJVVFQJHSU-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c1-13(20(24)14-5-3-2-4-6-14)23-12-18-7-8-19(25-18)15-9-16(21)11-17(22)10-15/h2-11,13,20,23-24H,12H2,1H3/t13-,20+/m1/s1.
What are the key properties of (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol?
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol has a molecular weight of 376.28 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 8622717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).