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

C15H17Cl2NO2 — CID 8622634

IUPAC(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m1/s1
InChIKeySCKAFJMISVPZKW-CYBMUJFWSA-N
MW314.21 g/mol
LogP4.11
Rot. Bonds6

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

(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 8622634) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID8622634
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m1/s1
InChIKeySCKAFJMISVPZKW-CYBMUJFWSA-N
XLogP4.11
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol (CID 8622634) is (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is SCKAFJMISVPZKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 314.21 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 8622634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).