2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline

C17H23N3 — CID 105223956

IUPAC2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(CC(NN)c2ccccc2N)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)10-17(20-19)14-6-4-5-7-16(14)18/h4-9,17,20H,10,18-19H2,1-3H3
InChIKeyLQOXTDKTLRUHND-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline

2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline (PubChem CID 105223956) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
PubChem CID105223956
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(CC(NN)c2ccccc2N)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)10-17(20-19)14-6-4-5-7-16(14)18/h4-9,17,20H,10,18-19H2,1-3H3
InChIKeyLQOXTDKTLRUHND-UHFFFAOYSA-N
XLogP2.94
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bromophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105208762
[1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105216946
[1-(2-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292752
[1-(3-chloro-2-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107103616
[1-(2-chloro-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292719
[1-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292704
[1-(6-methyl-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105219227
[1-(2,5-dichlorothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107970143
[1-(4-ethylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105197487
2-(1-hydrazinyl-2-thiophen-2-ylethyl)aniline
CID 105223953
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline (CID 105223956) is 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(CC(NN)c2ccccc2N)c(C)c1.
What is the InChIKey of 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline?
The InChIKey is LQOXTDKTLRUHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-8-12(2)15(13(3)9-11)10-17(20-19)14-6-4-5-7-16(14)18/h4-9,17,20H,10,18-19H2,1-3H3.
What are the key properties of 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline?
2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 105223956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).