2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine

C10H15ClFN3 — CID 115261315

IUPAC2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCN(CCc1ccc(F)c(Cl)c1)CNN
InChIInChI=1S/C10H15ClFN3/c1-15(7-14-13)5-4-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyGFNWFVLCTQTJKZ-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.37
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine

2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine (PubChem CID 115261315) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
PubChem CID115261315
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCN(CCc1ccc(F)c(Cl)c1)CNN
InChIInChI=1S/C10H15ClFN3/c1-15(7-14-13)5-4-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyGFNWFVLCTQTJKZ-UHFFFAOYSA-N
XLogP1.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine (CID 115261315) is 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine is CN(CCc1ccc(F)c(Cl)c1)CNN.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The InChIKey is GFNWFVLCTQTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-15(7-14-13)5-4-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7,13H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine has a molecular weight of 231.70 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine is sourced from PubChem (CID 115261315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).