N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

C15H16ClFN2O — CID 114928325

IUPACN-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cccc(F)c2)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)18-8-11-6-15(19-9-14(11)16)20-13-5-3-4-12(17)7-13/h3-7,9-10,18H,8H2,1-2H3
InChIKeyLQQHZVKHYHTMBA-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.16
Rot. Bonds5

About N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928325) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928325
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cccc(F)c2)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)18-8-11-6-15(19-9-14(11)16)20-13-5-3-4-12(17)7-13/h3-7,9-10,18H,8H2,1-2H3
InChIKeyLQQHZVKHYHTMBA-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 114928325) is N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2cccc(F)c2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is LQQHZVKHYHTMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)18-8-11-6-15(19-9-14(11)16)20-13-5-3-4-12(17)7-13/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 294.76 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).