N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

C15H16ClFN2O — CID 51051676

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESFc1cccc(Cl)c1CNCCCOc1ccccn1
InChIInChI=1S/C15H16ClFN2O/c16-13-5-3-6-14(17)12(13)11-18-8-4-10-20-15-7-1-2-9-19-15/h1-3,5-7,9,18H,4,8,10-11H2
InChIKeySJDZAOADYSOGKJ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.43
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 51051676) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID51051676
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESFc1cccc(Cl)c1CNCCCOc1ccccn1
InChIInChI=1S/C15H16ClFN2O/c16-13-5-3-6-14(17)12(13)11-18-8-4-10-20-15-7-1-2-9-19-15/h1-3,5-7,9,18H,4,8,10-11H2
InChIKeySJDZAOADYSOGKJ-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 51051676) is N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is Fc1cccc(Cl)c1CNCCCOc1ccccn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is SJDZAOADYSOGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c16-13-5-3-6-14(17)12(13)11-18-8-4-10-20-15-7-1-2-9-19-15/h1-3,5-7,9,18H,4,8,10-11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 294.76 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 51051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).