3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C16H21N3 — CID 55067063

IUPAC3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCc1ccccc1CNc1cccnc1N(C)C
InChIInChI=1S/C16H21N3/c1-4-13-8-5-6-9-14(13)12-18-15-10-7-11-17-16(15)19(2)3/h5-11,18H,4,12H2,1-3H3
InChIKeyHGXQFLIGKZYRSE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.32
Rot. Bonds5

About 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 55067063) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID55067063
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCCc1ccccc1CNc1cccnc1N(C)C
InChIInChI=1S/C16H21N3/c1-4-13-8-5-6-9-14(13)12-18-15-10-7-11-17-16(15)19(2)3/h5-11,18H,4,12H2,1-3H3
InChIKeyHGXQFLIGKZYRSE-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
CID 43784170
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
3-N-(furan-3-ylmethyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 63204353
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 55067063) is 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CCc1ccccc1CNc1cccnc1N(C)C.
What is the InChIKey of 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is HGXQFLIGKZYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-13-8-5-6-9-14(13)12-18-15-10-7-11-17-16(15)19(2)3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 55067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).