N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine

C15H16ClFN2O — CID 114928120

IUPACN-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccccc2F)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-15(19-10-12(11)16)20-14-6-4-3-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyTUNNVSFDWXMMJW-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.17
Rot. Bonds6

About N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114928120) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114928120
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccccc2F)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-15(19-10-12(11)16)20-14-6-4-3-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyTUNNVSFDWXMMJW-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.17
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-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 114928120) is N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Oc2ccccc2F)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is TUNNVSFDWXMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-7-18-9-11-8-15(19-10-12(11)16)20-14-6-4-3-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 294.76 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).