4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine

C14H20N2O — CID 3849163

IUPAC4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
SMILESCCOc1ccc(/N=C(\C)C(C)=C(C)N)cc1
InChIInChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10?,16-12+
InChIKeyVBFHPGFMPNJSSJ-NWGKGKNFSA-N
MW232.33 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine

4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine (PubChem CID 3849163) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
PubChem CID3849163
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
SMILESCCOc1ccc(/N=C(\C)C(C)=C(C)N)cc1
InChIInChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10?,16-12+
InChIKeyVBFHPGFMPNJSSJ-NWGKGKNFSA-N
XLogP3.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
CID 6809323
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
2-(4-ethoxyphenyl)-1,1,3,3-tetramethylguanidine
CID 525247
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
2-(4-ethoxyphenoxy)-N'-hydroxyethanimidamide
CID 24695727
methyl 3-(4-ethoxyphenyl)iminobutanoate
CID 90729914
(2-bromophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate
CID 8775307
2-(4-chlorophenoxy)ethyl N'-(4-ethoxyphenyl)carbamimidothioate
CID 8775293
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
3-acetyl-2-hydroxybenzoic acid;2-(4-ethoxyphenyl)guanidine
CID 70542197
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The IUPAC name of 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine (CID 3849163) is 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine is CCOc1ccc(/N=C(\C)C(C)=C(C)N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The InChIKey is VBFHPGFMPNJSSJ-NWGKGKNFSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10?,16-12+.
What are the key properties of 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine has a molecular weight of 232.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine is sourced from PubChem (CID 3849163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).