N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

C16H18ClFN2O — CID 79782115

IUPACN-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)19-8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyUFHAAXDREWFIBH-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79782115) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID79782115
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)19-8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyUFHAAXDREWFIBH-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 79782115) is N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2c(F)cccc2Cl)cn1.
What is the InChIKey of N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is UFHAAXDREWFIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(2)19-8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 308.78 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79782115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).