3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C17H23N3 — CID 43707870

IUPAC3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1ccc(C(C)Nc2cccnc2N(C)C)c(C)c1
InChIInChI=1S/C17H23N3/c1-12-8-9-15(13(2)11-12)14(3)19-16-7-6-10-18-17(16)20(4)5/h6-11,14,19H,1-5H3
InChIKeyQTFNXDIYNYDARU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds4

About 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707870) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707870
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1ccc(C(C)Nc2cccnc2N(C)C)c(C)c1
InChIInChI=1S/C17H23N3/c1-12-8-9-15(13(2)11-12)14(3)19-16-7-6-10-18-17(16)20(4)5/h6-11,14,19H,1-5H3
InChIKeyQTFNXDIYNYDARU-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
2-N,2-N-dimethyl-3-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridine-2,3-diamine
CID 43784227
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843
5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
CID 79042446
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
CID 43707765
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707870) is 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine is Cc1ccc(C(C)Nc2cccnc2N(C)C)c(C)c1.
What is the InChIKey of 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is QTFNXDIYNYDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-9-15(13(2)11-12)14(3)19-16-7-6-10-18-17(16)20(4)5/h6-11,14,19H,1-5H3.
What are the key properties of 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).