(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine

C11H14N2O — CID 142259876

IUPAC(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)c1ccc(OC)cc1
InChIInChI=1S/C11H14N2O/c1-8(13)11(7-12)9-3-5-10(14-2)6-4-9/h3-7,12H,13H2,1-2H3/b11-8+,12-7+
InChIKeyBTPHHGKIRUAOFV-NFLJZBCPSA-N
MW190.25 g/mol
LogP2.03
Rot. Bonds3

About (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine

(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine (PubChem CID 142259876) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine
PubChem CID142259876
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)c1ccc(OC)cc1
InChIInChI=1S/C11H14N2O/c1-8(13)11(7-12)9-3-5-10(14-2)6-4-9/h3-7,12H,13H2,1-2H3/b11-8+,12-7+
InChIKeyBTPHHGKIRUAOFV-NFLJZBCPSA-N
XLogP2.03
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-imino-1-(4-methoxyphenyl)heptane-1,6-dione
CID 135225539
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
6-methoxynaphthalene-2-carboximidamide
CID 3274917
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
(E)-4-imino-2-isocyano-N-[(4-methoxyphenyl)methyl]-3-methylbut-2-enamide
CID 20674503
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
(3E)-2,5-bis(4-methoxyphenyl)hexa-1,3,5-triene-1,1,6,6-tetracarbonitrile
CID 102136285
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine (CID 142259876) is (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine is [H]/N=C/C(=C(/C)N)c1ccc(OC)cc1.
What is the InChIKey of (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine?
The InChIKey is BTPHHGKIRUAOFV-NFLJZBCPSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(13)11(7-12)9-3-5-10(14-2)6-4-9/h3-7,12H,13H2,1-2H3/b11-8+,12-7+.
What are the key properties of (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine?
(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine has a molecular weight of 190.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine is sourced from PubChem (CID 142259876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).