[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine

C17H22N2O — CID 62425100

IUPAC[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2c3ccccc3CCC2C)oc1CN
InChIInChI=1S/C17H22N2O/c1-12-9-15(20-17(12)10-18)11-19-13(2)7-8-14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10-11,18H2,1-2H3
InChIKeyHCFLGJKVJTUALX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.39
Rot. Bonds3

About [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine

[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62425100) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62425100
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(CN2c3ccccc3CCC2C)oc1CN
InChIInChI=1S/C17H22N2O/c1-12-9-15(20-17(12)10-18)11-19-13(2)7-8-14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10-11,18H2,1-2H3
InChIKeyHCFLGJKVJTUALX-UHFFFAOYSA-N
XLogP3.39
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine (CID 62425100) is [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine is Cc1cc(CN2c3ccccc3CCC2C)oc1CN.
What is the InChIKey of [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is HCFLGJKVJTUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-9-15(20-17(12)10-18)11-19-13(2)7-8-14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10-11,18H2,1-2H3.
What are the key properties of [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine?
[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62425100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).