2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine

C15H19N3 — CID 115126452

IUPAC2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)CCc2cccnc2)c1
InChIInChI=1S/C15H19N3/c1-12-5-6-14(16)15(10-12)18(2)9-7-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9,16H2,1-2H3
InChIKeyBXBQCSLVEYXCQO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.65
Rot. Bonds4

About 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine

2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine (PubChem CID 115126452) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
PubChem CID115126452
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)CCc2cccnc2)c1
InChIInChI=1S/C15H19N3/c1-12-5-6-14(16)15(10-12)18(2)9-7-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9,16H2,1-2H3
InChIKeyBXBQCSLVEYXCQO-UHFFFAOYSA-N
XLogP2.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 115124006
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine
CID 115126441
5-methyl-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 107928562
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine (CID 115126452) is 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine is Cc1ccc(N)c(N(C)CCc2cccnc2)c1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine?
The InChIKey is BXBQCSLVEYXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-5-6-14(16)15(10-12)18(2)9-7-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9,16H2,1-2H3.
What are the key properties of 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine?
2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 115126452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).