5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline

C15H18ClN3 — CID 105224101

IUPAC5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
SMILESCc1ccc(C(NN)c2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C15H18ClN3/c1-9-3-5-12(10(2)7-9)15(19-18)13-6-4-11(16)8-14(13)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyGTVYUMHNAVTPRN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline

5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline (PubChem CID 105224101) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
PubChem CID105224101
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
SMILESCc1ccc(C(NN)c2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C15H18ClN3/c1-9-3-5-12(10(2)7-9)15(19-18)13-6-4-11(16)8-14(13)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyGTVYUMHNAVTPRN-UHFFFAOYSA-N
XLogP3.09
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.09
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

[(4-chloro-2-fluorophenyl)-(4-chloro-2-methylphenyl)methyl]hydrazine
CID 114028440
[(3-chloro-4-methylphenyl)-(2,4-dimethylphenyl)methyl]hydrazine
CID 105304677
[(4-chloro-3-methylphenyl)-(2,4-dimethylphenyl)methyl]hydrazine
CID 105304646
[(3-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]hydrazine
CID 105304710
[(2,4-dimethylphenyl)-(2-iodophenyl)methyl]hydrazine
CID 105304663
5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
CID 105224051
5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224204
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
[(2,4-dimethylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline (CID 105224101) is 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline is Cc1ccc(C(NN)c2ccc(Cl)cc2N)c(C)c1.
What is the InChIKey of 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline?
The InChIKey is GTVYUMHNAVTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9-3-5-12(10(2)7-9)15(19-18)13-6-4-11(16)8-14(13)17/h3-8,15,19H,17-18H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline?
5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105224101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).