(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine

C14H19FN2 — CID 142190752

IUPAC(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
SMILES[H]/N=C(C(/Cc1cccc(F)c1)=C(/C)N)\C(C)C
InChIInChI=1S/C14H19FN2/c1-9(2)14(17)13(10(3)16)8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3/b13-10-,17-14+
InChIKeyPMOIRDYJNWJWSR-ICMDQPEBSA-N
MW234.32 g/mol
LogP3.28
Rot. Bonds4

About (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine

(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine (PubChem CID 142190752) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
PubChem CID142190752
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
SMILES[H]/N=C(C(/Cc1cccc(F)c1)=C(/C)N)\C(C)C
InChIInChI=1S/C14H19FN2/c1-9(2)14(17)13(10(3)16)8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3/b13-10-,17-14+
InChIKeyPMOIRDYJNWJWSR-ICMDQPEBSA-N
XLogP3.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11593845
(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
CID 11651705
(NZ)-N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
CID 44135991
(NE)-N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
CID 87251670
alpha-Methylbenzenemethanimine
CID 11389383
2-[(E)-1-(4-fluorophenyl)pentylideneamino]guanidine
CID 9561770
2-(Cyclopropyl(4-fluorophenyl)methylene)hydrazinecarboximidamide
CID 5357139
Ethanone, 1-(4-fluorophenyl)-, hydrazone
CID 9589463
1-(4-Fluorophenyl)ethylideneazanium
CID 21732119
(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine
CID 134891258
(E)-1-(2-fluorophenyl)ethylidenehydrazine
CID 135083863
1-[4-(Trifluoromethyl)phenyl]ethylideneazanium
CID 135085394

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The IUPAC name of (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine (CID 142190752) is (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine.
What is the SMILES notation for (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The canonical SMILES for (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine is [H]/N=C(C(/Cc1cccc(F)c1)=C(/C)N)\C(C)C.
What is the InChIKey of (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The InChIKey is PMOIRDYJNWJWSR-ICMDQPEBSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9(2)14(17)13(10(3)16)8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3/b13-10-,17-14+.
What are the key properties of (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
(Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3-fluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine is sourced from PubChem (CID 142190752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).