4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine

C18H20N2O — CID 60659039

IUPAC4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc2ncccc2c1
InChIInChI=1S/C18H20N2O/c1-14(6-8-17-5-3-11-21-17)20-13-15-7-9-18-16(12-15)4-2-10-19-18/h2-5,7,9-12,14,20H,6,8,13H2,1H3
InChIKeyXVKPIECDOJYLOD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.94
Rot. Bonds6

About 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine

4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine (PubChem CID 60659039) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
PubChem CID60659039
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc2ncccc2c1
InChIInChI=1S/C18H20N2O/c1-14(6-8-17-5-3-11-21-17)20-13-15-7-9-18-16(12-15)4-2-10-19-18/h2-5,7,9-12,14,20H,6,8,13H2,1H3
InChIKeyXVKPIECDOJYLOD-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
3-(furan-2-yl)-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105172364
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
[3-(furan-2-yl)-1-quinolin-6-ylpropyl]hydrazine
CID 105327279
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine (CID 60659039) is 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine is CC(CCc1ccco1)NCc1ccc2ncccc2c1.
What is the InChIKey of 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine?
The InChIKey is XVKPIECDOJYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(6-8-17-5-3-11-21-17)20-13-15-7-9-18-16(12-15)4-2-10-19-18/h2-5,7,9-12,14,20H,6,8,13H2,1H3.
What are the key properties of 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine?
4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine is sourced from PubChem (CID 60659039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).