N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C16H19ClN2O — CID 80635290

IUPACN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-9-13-8-12(3)16(19-10-13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyXVSGAFMOXZADDY-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.33
Rot. Bonds5

About N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80635290) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80635290
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-9-13-8-12(3)16(19-10-13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyXVSGAFMOXZADDY-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(4-chlorophenoxy)-5-methyl-3-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-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 83232522
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636342
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
N-[[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81315137
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80635290) is N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is XVSGAFMOXZADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)18-9-13-8-12(3)16(19-10-13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80635290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).