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

C16H27ClFN3 — CID 102867916

IUPAC1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
SMILESCCN(CC)C(C)(CC)C(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)14(20-19)11-12-9-8-10-13(17)15(12)18/h8-10,14,20H,5-7,11,19H2,1-4H3
InChIKeyXKOVPIRPUZBBAH-UHFFFAOYSA-N
MW315.86 g/mol
LogP3.36
Rot. Bonds8

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

1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine (PubChem CID 102867916) has the molecular formula C16H27ClFN3 and a molecular weight of 315.86 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
PubChem CID102867916
Molecular FormulaC16H27ClFN3
Molecular Weight315.86 g/mol
Exact Mass315.19
IUPAC Name1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
SMILESCCN(CC)C(C)(CC)C(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)14(20-19)11-12-9-8-10-13(17)15(12)18/h8-10,14,20H,5-7,11,19H2,1-4H3
InChIKeyXKOVPIRPUZBBAH-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-(2-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240791
1-(2-chloro-6-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240763
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 107895162
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 102857757
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine (CID 102867916) is 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine is CCN(CC)C(C)(CC)C(Cc1cccc(Cl)c1F)NN.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
The InChIKey is XKOVPIRPUZBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClFN3/c1-5-16(4,21(6-2)7-3)14(20-19)11-12-9-8-10-13(17)15(12)18/h8-10,14,20H,5-7,11,19H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine is sourced from PubChem (CID 102867916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).