4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

C12H20ClN3 — CID 105259401

IUPAC4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C12H20ClN3/c1-16(2)8-7-12(15-14)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyBQMPTYZNJFOXDT-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.67
Rot. Bonds6

About 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (PubChem CID 105259401) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
PubChem CID105259401
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C12H20ClN3/c1-16(2)8-7-12(15-14)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyBQMPTYZNJFOXDT-UHFFFAOYSA-N
XLogP1.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.67
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

4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272
1-(4-chlorophenyl)hept-5-yn-2-ylhydrazine
CID 105197717
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 106871466
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (CID 105259401) is 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is CN(C)CCC(Cc1ccc(Cl)cc1)NN.
What is the InChIKey of 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The InChIKey is BQMPTYZNJFOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-16(2)8-7-12(15-14)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9,14H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine has a molecular weight of 241.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 105259401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).