N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine

C17H22ClN3 — CID 64586601

IUPACN-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
SMILESCCCCN(c1ccccc1)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C17H22ClN3/c1-3-4-12-21(14-8-6-5-7-9-14)17-11-10-15(18)16(20-17)13-19-2/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyPPVMUWAXZIMPCJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.39
Rot. Bonds7

About N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine

N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine (PubChem CID 64586601) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
PubChem CID64586601
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
SMILESCCCCN(c1ccccc1)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C17H22ClN3/c1-3-4-12-21(14-8-6-5-7-9-14)17-11-10-15(18)16(20-17)13-19-2/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyPPVMUWAXZIMPCJ-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine?
The IUPAC name of N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine (CID 64586601) is N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine.
What is the SMILES notation for N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine?
The canonical SMILES for N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine is CCCCN(c1ccccc1)c1ccc(Cl)c(CNC)n1.
What is the InChIKey of N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine?
The InChIKey is PPVMUWAXZIMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-4-12-21(14-8-6-5-7-9-14)17-11-10-15(18)16(20-17)13-19-2/h5-11,19H,3-4,12-13H2,1-2H3.
What are the key properties of N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine?
N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 64586601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).