(Z)-1-(2-methylphenoxy)but-2-en-2-amine

C11H15NO — CID 167112053

IUPAC(Z)-1-(2-methylphenoxy)but-2-en-2-amine
SMILESC/C=C(\N)COc1ccccc1C
InChIInChI=1S/C11H15NO/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h3-7H,8,12H2,1-2H3/b10-3-
InChIKeyPZAOAZPGESFXNL-KMKOMSMNSA-N
MW177.25 g/mol
LogP2.24
Rot. Bonds3

About (Z)-1-(2-methylphenoxy)but-2-en-2-amine

(Z)-1-(2-methylphenoxy)but-2-en-2-amine (PubChem CID 167112053) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (Z)-1-(2-methylphenoxy)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(2-methylphenoxy)but-2-en-2-amine
PubChem CID167112053
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(Z)-1-(2-methylphenoxy)but-2-en-2-amine
SMILESC/C=C(\N)COc1ccccc1C
InChIInChI=1S/C11H15NO/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h3-7H,8,12H2,1-2H3/b10-3-
InChIKeyPZAOAZPGESFXNL-KMKOMSMNSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-(2-methylphenoxy)but-2-en-2-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

sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
ethene;(2-methylphenoxy)methanamine
CID 174405951
2,2-dimethyl-3-(2-methylphenoxy)propanethioamide
CID 82080504
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide
CID 10902109

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methylphenoxy)but-2-en-2-amine?
The IUPAC name of (Z)-1-(2-methylphenoxy)but-2-en-2-amine (CID 167112053) is (Z)-1-(2-methylphenoxy)but-2-en-2-amine.
What is the SMILES notation for (Z)-1-(2-methylphenoxy)but-2-en-2-amine?
The canonical SMILES for (Z)-1-(2-methylphenoxy)but-2-en-2-amine is C/C=C(\N)COc1ccccc1C.
What is the InChIKey of (Z)-1-(2-methylphenoxy)but-2-en-2-amine?
The InChIKey is PZAOAZPGESFXNL-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h3-7H,8,12H2,1-2H3/b10-3-.
What are the key properties of (Z)-1-(2-methylphenoxy)but-2-en-2-amine?
(Z)-1-(2-methylphenoxy)but-2-en-2-amine has a molecular weight of 177.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylphenoxy)but-2-en-2-amine is sourced from PubChem (CID 167112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).