(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine

C13H19NO — CID 134987822

IUPAC(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine
SMILESCC/C(=C(\OC)N(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-5-12(13(15-4)14(2)3)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12+
InChIKeyXENSIPGLNHLKBH-OUKQBFOZSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds4

About (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine

(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine (PubChem CID 134987822) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine
PubChem CID134987822
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine
SMILESCC/C(=C(\OC)N(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-5-12(13(15-4)14(2)3)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12+
InChIKeyXENSIPGLNHLKBH-OUKQBFOZSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-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)-4-methylhex-3-en-3-yl]benzene
CID 142361639
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
4-phenylhex-3-en-3-amine
CID 140615450
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
(E)-2-methyl-3-phenylpent-2-en-1-ol
CID 134126530
(Z)-2,3-diphenylpent-2-enoic acid
CID 67236453
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
CID 71127944
chloro 2-methyl-3-phenylpent-2-enoate
CID 174505232
2-nitrosopent-2-en-3-ylbenzene
CID 90886077
[(E)-3-methyl-1-phenylpent-2-en-2-yl]benzene
CID 6432959
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine?
The IUPAC name of (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine (CID 134987822) is (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine.
What is the SMILES notation for (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine?
The canonical SMILES for (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine is CC/C(=C(\OC)N(C)C)c1ccccc1.
What is the InChIKey of (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine?
The InChIKey is XENSIPGLNHLKBH-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12(13(15-4)14(2)3)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b13-12+.
What are the key properties of (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine?
(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine is sourced from PubChem (CID 134987822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).