N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine

C15H18F2N2O — CID 82005872

IUPACN-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC(F)F)nc2ccccc12
InChIInChI=1S/C15H18F2N2O/c1-2-7-18-9-11-8-15(20-10-14(16)17)19-13-6-4-3-5-12(11)13/h3-6,8,14,18H,2,7,9-10H2,1H3
InChIKeyONLOEXNYHLGJCH-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.38
Rot. Bonds7

About N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine

N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine (PubChem CID 82005872) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
PubChem CID82005872
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC(F)F)nc2ccccc12
InChIInChI=1S/C15H18F2N2O/c1-2-7-18-9-11-8-15(20-10-14(16)17)19-13-6-4-3-5-12(11)13/h3-6,8,14,18H,2,7,9-10H2,1H3
InChIKeyONLOEXNYHLGJCH-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82007221
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
CID 115915961
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 114412568
N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
CID 102985914

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine (CID 82005872) is N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine is CCCNCc1cc(OCC(F)F)nc2ccccc12.
What is the InChIKey of N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine?
The InChIKey is ONLOEXNYHLGJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-7-18-9-11-8-15(20-10-14(16)17)19-13-6-4-3-5-12(11)13/h3-6,8,14,18H,2,7,9-10H2,1H3.
What are the key properties of N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine?
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82005872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).