3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine

C11H16FN3 — CID 143803168

IUPAC3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine
SMILESC/C(=N\N)c1cc(F)ccc1CCCN
InChIInChI=1S/C11H16FN3/c1-8(15-14)11-7-10(12)5-4-9(11)3-2-6-13/h4-5,7H,2-3,6,13-14H2,1H3/b15-8+
InChIKeyKTQWHSKXRCNGFL-OVCLIPMQSA-N
MW209.27 g/mol
LogP1.40
Rot. Bonds4

About 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine

3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine (PubChem CID 143803168) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine
PubChem CID143803168
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine
SMILESC/C(=N\N)c1cc(F)ccc1CCCN
InChIInChI=1S/C11H16FN3/c1-8(15-14)11-7-10(12)5-4-9(11)3-2-6-13/h4-5,7H,2-3,6,13-14H2,1H3/b15-8+
InChIKeyKTQWHSKXRCNGFL-OVCLIPMQSA-N
XLogP1.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutyl)-5-fluorobenzoic acid
CID 117301287
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethylidenehydrazine
CID 130338430
4-(3-aminopropyl)-2,3-difluoroaniline
CID 55254325
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
CID 84794355
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
CID 9058020

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine (CID 143803168) is 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine is C/C(=N\N)c1cc(F)ccc1CCCN.
What is the InChIKey of 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine?
The InChIKey is KTQWHSKXRCNGFL-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(15-14)11-7-10(12)5-4-9(11)3-2-6-13/h4-5,7H,2-3,6,13-14H2,1H3/b15-8+.
What are the key properties of 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine?
3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine has a molecular weight of 209.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethanehydrazonoyl-4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 143803168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).