2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol

C16H20ClNO2 — CID 4724276

IUPAC2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C16H20ClNO2/c1-3-12(10-19)18-9-13-7-8-16(20-13)14-5-4-6-15(17)11(14)2/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyDSURYYZMBWFIQW-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.77
Rot. Bonds6

About 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol

2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 4724276) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID4724276
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C16H20ClNO2/c1-3-12(10-19)18-9-13-7-8-16(20-13)14-5-4-6-15(17)11(14)2/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyDSURYYZMBWFIQW-UHFFFAOYSA-N
XLogP3.77
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol (CID 4724276) is 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(-c2cccc(Cl)c2C)o1.
What is the InChIKey of 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is DSURYYZMBWFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-12(10-19)18-9-13-7-8-16(20-13)14-5-4-6-15(17)11(14)2/h4-8,12,18-19H,3,9-10H2,1-2H3.
What are the key properties of 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol?
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 293.79 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 4724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).