2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine

C11H18ClN3 — CID 106817514

IUPAC2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
SMILESCc1ccc(C(CN)NN(C)C)cc1Cl
InChIInChI=1S/C11H18ClN3/c1-8-4-5-9(6-10(8)12)11(7-13)14-15(2)3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyYQMMITLJSUGCOB-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine

2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine (PubChem CID 106817514) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
PubChem CID106817514
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
SMILESCc1ccc(C(CN)NN(C)C)cc1Cl
InChIInChI=1S/C11H18ClN3/c1-8-4-5-9(6-10(8)12)11(7-13)14-15(2)3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyYQMMITLJSUGCOB-UHFFFAOYSA-N
XLogP1.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011513
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
1-(3-chloro-4-methylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106817559
1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 106817250
1-(3-chloro-4-methylphenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 106817310
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
2-(2,2-dimethylhydrazinyl)-2-(6-methoxynaphthalen-2-yl)ethanamine
CID 83011600
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 107562353
[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 107562550

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine (CID 106817514) is 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine is Cc1ccc(C(CN)NN(C)C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The InChIKey is YQMMITLJSUGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-4-5-9(6-10(8)12)11(7-13)14-15(2)3/h4-6,11,14H,7,13H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine?
2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine has a molecular weight of 227.74 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine is sourced from PubChem (CID 106817514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).