(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine

C14H20N2O — CID 145107668

IUPAC(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-5-9-13(16-2)14(15)11-7-6-8-12(10-11)17-3/h5-10,14H,4,15H2,1-3H3/b9-5-,16-13+
InChIKeyBMYDXBWUNAIUNY-YWVIWWNGSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds5

About (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine

(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine (PubChem CID 145107668) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine
PubChem CID145107668
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-5-9-13(16-2)14(15)11-7-6-8-12(10-11)17-3/h5-10,14H,4,15H2,1-3H3/b9-5-,16-13+
InChIKeyBMYDXBWUNAIUNY-YWVIWWNGSA-N
XLogP2.73
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-one
CID 145107794
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide
CID 170877403
hydrazinyl-(3-methoxyphenyl)methanamine
CID 116947521
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(3-methoxyphenyl)ethyl]-3-methoxybenzene
CID 101140559

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine?
The IUPAC name of (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine (CID 145107668) is (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine is CC/C=C\C(=N/C)C(N)c1cccc(OC)c1.
What is the InChIKey of (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine?
The InChIKey is BMYDXBWUNAIUNY-YWVIWWNGSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-5-9-13(16-2)14(15)11-7-6-8-12(10-11)17-3/h5-10,14H,4,15H2,1-3H3/b9-5-,16-13+.
What are the key properties of (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine?
(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 145107668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).