(Z)-N-ethyl-3-phenoxybut-2-en-2-amine

C12H17NO — CID 145478363

IUPAC(Z)-N-ethyl-3-phenoxybut-2-en-2-amine
SMILESCCN/C(C)=C(/C)Oc1ccccc1
InChIInChI=1S/C12H17NO/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3/b11-10-
InChIKeyFIIDPDZLLHKXBH-KHPPLWFESA-N
MW191.27 g/mol
LogP2.93
Rot. Bonds4

About (Z)-N-ethyl-3-phenoxybut-2-en-2-amine

(Z)-N-ethyl-3-phenoxybut-2-en-2-amine (PubChem CID 145478363) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z)-N-ethyl-3-phenoxybut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-phenoxybut-2-en-2-amine
PubChem CID145478363
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(Z)-N-ethyl-3-phenoxybut-2-en-2-amine
SMILESCCN/C(C)=C(/C)Oc1ccccc1
InChIInChI=1S/C12H17NO/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3/b11-10-
InChIKeyFIIDPDZLLHKXBH-KHPPLWFESA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-N-ethyl-3-phenoxybut-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

phenyl 3-(ethylamino)-3-sulfanylidenepropanoate
CID 101436969
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
1-methoxyethenoxybenzene
CID 57063667
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
azane;ethanol;mercury;phenyl acetate
CID 70517650
O-phenyl N-(aminomethyl)carbamothioate
CID 174929388
phenyl acetate;propan-1-ol
CID 70298210
phenyl propanoate
CID 161258381
N-ethyl-2-phenoxypropanamide
CID 4282518
phenyl 3-acetamidopropanoate
CID 13317977

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-phenoxybut-2-en-2-amine?
The IUPAC name of (Z)-N-ethyl-3-phenoxybut-2-en-2-amine (CID 145478363) is (Z)-N-ethyl-3-phenoxybut-2-en-2-amine.
What is the SMILES notation for (Z)-N-ethyl-3-phenoxybut-2-en-2-amine?
The canonical SMILES for (Z)-N-ethyl-3-phenoxybut-2-en-2-amine is CCN/C(C)=C(/C)Oc1ccccc1.
What is the InChIKey of (Z)-N-ethyl-3-phenoxybut-2-en-2-amine?
The InChIKey is FIIDPDZLLHKXBH-KHPPLWFESA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3/b11-10-.
What are the key properties of (Z)-N-ethyl-3-phenoxybut-2-en-2-amine?
(Z)-N-ethyl-3-phenoxybut-2-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-phenoxybut-2-en-2-amine is sourced from PubChem (CID 145478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).