4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

C13H22ClN3 — CID 106871466

IUPAC4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCc1ccc(CC(CCN(C)C)NN)c(Cl)c1
InChIInChI=1S/C13H22ClN3/c1-10-4-5-11(13(14)8-10)9-12(16-15)6-7-17(2)3/h4-5,8,12,16H,6-7,9,15H2,1-3H3
InChIKeyKSEXKUSQZUDQAM-UHFFFAOYSA-N
MW255.79 g/mol
LogP1.97
Rot. Bonds6

About 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (PubChem CID 106871466) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
PubChem CID106871466
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCc1ccc(CC(CCN(C)C)NN)c(Cl)c1
InChIInChI=1S/C13H22ClN3/c1-10-4-5-11(13(14)8-10)9-12(16-15)6-7-17(2)3/h4-5,8,12,16H,6-7,9,15H2,1-3H3
InChIKeyKSEXKUSQZUDQAM-UHFFFAOYSA-N
XLogP1.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 106868466
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 106868573
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(2-chloro-4-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 106868502
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (CID 106871466) is 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is Cc1ccc(CC(CCN(C)C)NN)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The InChIKey is KSEXKUSQZUDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-10-4-5-11(13(14)8-10)9-12(16-15)6-7-17(2)3/h4-5,8,12,16H,6-7,9,15H2,1-3H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 106871466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).