6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine

C16H21N3 — CID 83123110

IUPAC6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
SMILESCc1ccc(N(C)c2ccc([C@@H](C)N)nc2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-5-8-16(12(2)9-11)19(4)14-6-7-15(13(3)17)18-10-14/h5-10,13H,17H2,1-4H3/t13-/m1/s1
InChIKeyBWJBKQNGUSVITG-CYBMUJFWSA-N
MW255.36 g/mol
LogP3.49
Rot. Bonds3

About 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine

6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine (PubChem CID 83123110) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
PubChem CID83123110
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
SMILESCc1ccc(N(C)c2ccc([C@@H](C)N)nc2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-5-8-16(12(2)9-11)19(4)14-6-7-15(13(3)17)18-10-14/h5-10,13H,17H2,1-4H3/t13-/m1/s1
InChIKeyBWJBKQNGUSVITG-CYBMUJFWSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine (CID 83123110) is 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine is Cc1ccc(N(C)c2ccc([C@@H](C)N)nc2)c(C)c1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The InChIKey is BWJBKQNGUSVITG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-5-8-16(12(2)9-11)19(4)14-6-7-15(13(3)17)18-10-14/h5-10,13H,17H2,1-4H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 83123110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).