(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine

C12H14FN3 — CID 143488575

IUPAC(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine
SMILES[H]/N=C(C(=N/C)/C(N)=C\C)\c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-3-10(14)12(16-2)11(15)8-4-6-9(13)7-5-8/h3-7,15H,14H2,1-2H3/b10-3+,15-11+,16-12+
InChIKeyMWPXDJKDEODJKQ-RHCOTAEHSA-N
MW219.26 g/mol
LogP2.13
Rot. Bonds3

About (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine

(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine (PubChem CID 143488575) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine
PubChem CID143488575
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine
SMILES[H]/N=C(C(=N/C)/C(N)=C\C)\c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-3-10(14)12(16-2)11(15)8-4-6-9(13)7-5-8/h3-7,15H,14H2,1-2H3/b10-3+,15-11+,16-12+
InChIKeyMWPXDJKDEODJKQ-RHCOTAEHSA-N
XLogP2.13
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
6-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 12009048
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 102142893
(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 135081127
5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 12009049
Ethanone, 1-(4-fluorophenyl)-, hydrazone
CID 9589463
1-(4-Fluorophenyl)ethylideneazanium
CID 21732119
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine?
The IUPAC name of (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine (CID 143488575) is (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine.
What is the SMILES notation for (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine?
The canonical SMILES for (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine is [H]/N=C(C(=N/C)/C(N)=C\C)\c1ccc(F)cc1.
What is the InChIKey of (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine?
The InChIKey is MWPXDJKDEODJKQ-RHCOTAEHSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-10(14)12(16-2)11(15)8-4-6-9(13)7-5-8/h3-7,15H,14H2,1-2H3/b10-3+,15-11+,16-12+.
What are the key properties of (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine?
(E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-fluorophenyl)-5-imino-4-methyliminopent-2-en-3-amine is sourced from PubChem (CID 143488575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).