N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine

C17H21ClN2O — CID 106692530

IUPACN-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCc2cccnc21
InChIInChI=1S/C17H21ClN2O/c1-2-10-19-17(14-8-9-15(18)21-14)13-7-3-5-12-6-4-11-20-16(12)13/h4,6,8-9,11,13,17,19H,2-3,5,7,10H2,1H3
InChIKeyRVKMPUBOHFJSLH-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.49
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine (PubChem CID 106692530) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
PubChem CID106692530
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCc2cccnc21
InChIInChI=1S/C17H21ClN2O/c1-2-10-19-17(14-8-9-15(18)21-14)13-7-3-5-12-6-4-11-20-16(12)13/h4,6,8-9,11,13,17,19H,2-3,5,7,10H2,1H3
InChIKeyRVKMPUBOHFJSLH-UHFFFAOYSA-N
XLogP4.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-methylfuran-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 104790380
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
3-methoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748513
2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79747758
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 102923634
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine (CID 106692530) is N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)C1CCCc2cccnc21.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine?
The InChIKey is RVKMPUBOHFJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-10-19-17(14-8-9-15(18)21-14)13-7-3-5-12-6-4-11-20-16(12)13/h4,6,8-9,11,13,17,19H,2-3,5,7,10H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 106692530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).