1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine

C16H27ClFN3 — CID 107895162

IUPAC1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
SMILESCCN(CC)C(C)(CC)C(Cc1ccc(Cl)c(F)c1)NN
InChIInChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)15(20-19)11-12-8-9-13(17)14(18)10-12/h8-10,15,20H,5-7,11,19H2,1-4H3
InChIKeyGPTUKQTYRDBXFV-UHFFFAOYSA-N
MW315.86 g/mol
LogP3.36
Rot. Bonds8

About 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine

1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine (PubChem CID 107895162) has the molecular formula C16H27ClFN3 and a molecular weight of 315.86 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
PubChem CID107895162
Molecular FormulaC16H27ClFN3
Molecular Weight315.86 g/mol
Exact Mass315.19
IUPAC Name1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
SMILESCCN(CC)C(C)(CC)C(Cc1ccc(Cl)c(F)c1)NN
InChIInChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)15(20-19)11-12-8-9-13(17)14(18)10-12/h8-10,15,20H,5-7,11,19H2,1-4H3
InChIKeyGPTUKQTYRDBXFV-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.86
LogP ≤ 53.36
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-(3,4-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240894
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634
1-(2-chloro-6-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240763
1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 102867916
1-(2-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240791
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
1-(3,4-dimethylphenyl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CID 105240604
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine (CID 107895162) is 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine is CCN(CC)C(C)(CC)C(Cc1ccc(Cl)c(F)c1)NN.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The InChIKey is GPTUKQTYRDBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)15(20-19)11-12-8-9-13(17)14(18)10-12/h8-10,15,20H,5-7,11,19H2,1-4H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine has a molecular weight of 315.86 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine is sourced from PubChem (CID 107895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).