6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine

C17H22ClN3 — CID 62284232

IUPAC6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
SMILESCN(c1ccccc1)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)19-12-15-14(18)10-11-16(20-15)21(4)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3
InChIKeyBMLHRASQFJWZSA-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.39
Rot. Bonds4

About 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine

6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine (PubChem CID 62284232) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
PubChem CID62284232
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
SMILESCN(c1ccccc1)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C17H22ClN3/c1-17(2,3)19-12-15-14(18)10-11-16(20-15)21(4)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3
InChIKeyBMLHRASQFJWZSA-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-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 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine (CID 62284232) is 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine is CN(c1ccccc1)c1ccc(Cl)c(CNC(C)(C)C)n1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine?
The InChIKey is BMLHRASQFJWZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-17(2,3)19-12-15-14(18)10-11-16(20-15)21(4)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine?
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 62284232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).