N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

C15H17ClN2O — CID 60962067

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1cccc(C)n1
InChIInChI=1S/C15H17ClN2O/c1-11-4-3-5-14(18-11)10-17-9-12-8-13(16)6-7-15(12)19-2/h3-8,17H,9-10H2,1-2H3
InChIKeyIOCIJIIBPHXQDS-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 60962067) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID60962067
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1cccc(C)n1
InChIInChI=1S/C15H17ClN2O/c1-11-4-3-5-14(18-11)10-17-9-12-8-13(16)6-7-15(12)19-2/h3-8,17H,9-10H2,1-2H3
InChIKeyIOCIJIIBPHXQDS-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 60962067) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is COc1ccc(Cl)cc1CNCc1cccc(C)n1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is IOCIJIIBPHXQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-4-3-5-14(18-11)10-17-9-12-8-13(16)6-7-15(12)19-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 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-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 60962067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).