N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine

C13H19NO — CID 115691288

IUPACN-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-11(3)14-9-12-6-7-13(15-4)10(2)8-12/h5-8,11,14H,1,9H2,2-4H3
InChIKeyZOGCWSYATRKKIR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine

N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine (PubChem CID 115691288) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
PubChem CID115691288
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-11(3)14-9-12-6-7-13(15-4)10(2)8-12/h5-8,11,14H,1,9H2,2-4H3
InChIKeyZOGCWSYATRKKIR-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4-methoxy-3-methylphenyl)methyl]but-3-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

N-[(4-bromo-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691104
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
N-[(3,5-dimethoxyphenyl)methyl]but-3-en-2-amine
CID 115691183
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
N-[(4-methoxy-3-methylphenyl)methyl]pent-1-yn-3-amine
CID 106225233
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 113240077
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine (CID 115691288) is N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine is C=CC(C)NCc1ccc(OC)c(C)c1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine?
The InChIKey is ZOGCWSYATRKKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11(3)14-9-12-6-7-13(15-4)10(2)8-12/h5-8,11,14H,1,9H2,2-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine?
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine is sourced from PubChem (CID 115691288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).