2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine

C17H22ClN3 — CID 103182335

IUPAC2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN(C)C(C)c2cccc(Cl)c2)c(C)c1N
InChIInChI=1S/C17H22ClN3/c1-11-9-20-16(12(2)17(11)19)10-21(4)13(3)14-6-5-7-15(18)8-14/h5-9,13H,10H2,1-4H3,(H2,19,20)
InChIKeyUWTMXEDQPPSVLB-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.13
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine

2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182335) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182335
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN(C)C(C)c2cccc(Cl)c2)c(C)c1N
InChIInChI=1S/C17H22ClN3/c1-11-9-20-16(12(2)17(11)19)10-21(4)13(3)14-6-5-7-15(18)8-14/h5-9,13H,10H2,1-4H3,(H2,19,20)
InChIKeyUWTMXEDQPPSVLB-UHFFFAOYSA-N
XLogP4.13
TPSA42.15 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine (CID 103182335) is 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine is Cc1cnc(CN(C)C(C)c2cccc(Cl)c2)c(C)c1N.
What is the InChIKey of 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is UWTMXEDQPPSVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11-9-20-16(12(2)17(11)19)10-21(4)13(3)14-6-5-7-15(18)8-14/h5-9,13H,10H2,1-4H3,(H2,19,20).
What are the key properties of 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).