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

C16H21N3O — CID 43707770

IUPAC3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCOc1ccccc1C(C)Nc1cccnc1N(C)C
InChIInChI=1S/C16H21N3O/c1-12(13-8-5-6-10-15(13)20-4)18-14-9-7-11-17-16(14)19(2)3/h5-12,18H,1-4H3
InChIKeyFYSGYFLXFUJJCX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds5

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

3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707770) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707770
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCOc1ccccc1C(C)Nc1cccnc1N(C)C
InChIInChI=1S/C16H21N3O/c1-12(13-8-5-6-10-15(13)20-4)18-14-9-7-11-17-16(14)19(2)3/h5-12,18H,1-4H3
InChIKeyFYSGYFLXFUJJCX-UHFFFAOYSA-N
XLogP3.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
CID 43707765
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825
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-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707770) is 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine is COc1ccccc1C(C)Nc1cccnc1N(C)C.
What is the InChIKey of 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is FYSGYFLXFUJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(13-8-5-6-10-15(13)20-4)18-14-9-7-11-17-16(14)19(2)3/h5-12,18H,1-4H3.
What are the key properties of 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).