N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine

C16H16N2O — CID 60651617

IUPACN-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
SMILESCc1ccc(C(C)Nc2ccc3ccccc3n2)o1
InChIInChI=1S/C16H16N2O/c1-11-7-9-15(19-11)12(2)17-16-10-8-13-5-3-4-6-14(13)18-16/h3-10,12H,1-2H3,(H,17,18)
InChIKeyXITIWARHPJWQPH-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.31
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine

N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine (PubChem CID 60651617) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
PubChem CID60651617
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
SMILESCc1ccc(C(C)Nc2ccc3ccccc3n2)o1
InChIInChI=1S/C16H16N2O/c1-11-7-9-15(19-11)12(2)17-16-10-8-13-5-3-4-6-14(13)18-16/h3-10,12H,1-2H3,(H,17,18)
InChIKeyXITIWARHPJWQPH-UHFFFAOYSA-N
XLogP4.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
CID 60644870
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 63090359
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133292561
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine (CID 60651617) is N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine is Cc1ccc(C(C)Nc2ccc3ccccc3n2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine?
The InChIKey is XITIWARHPJWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-9-15(19-11)12(2)17-16-10-8-13-5-3-4-6-14(13)18-16/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine?
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine is sourced from PubChem (CID 60651617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).