N-methyl-4-(4-methylphenoxy)but-2-en-1-amine

C12H17NO — CID 171158072

IUPACN-methyl-4-(4-methylphenoxy)but-2-en-1-amine
SMILESCNCC=CCOc1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-11-5-7-12(8-6-11)14-10-4-3-9-13-2/h3-8,13H,9-10H2,1-2H3
InChIKeyHKIPPVSLELCABZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-4-(4-methylphenoxy)but-2-en-1-amine

N-methyl-4-(4-methylphenoxy)but-2-en-1-amine (PubChem CID 171158072) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenoxy)but-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenoxy)but-2-en-1-amine
PubChem CID171158072
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-4-(4-methylphenoxy)but-2-en-1-amine
SMILESCNCC=CCOc1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-11-5-7-12(8-6-11)14-10-4-3-9-13-2/h3-8,13H,9-10H2,1-2H3
InChIKeyHKIPPVSLELCABZ-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-(4-methylphenoxy)but-2-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

(E)-N-methyl-4-phenoxybut-2-en-1-amine
CID 112547311
1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
CID 142045717
methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
CID 161371007
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
ethyl (E)-4-(4-methylphenoxy)but-2-enoate
CID 80545659
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
N-methylmethanamine;1,4-xylene
CID 66760370
4-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methylbut-2-en-1-amine
CID 67598993

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenoxy)but-2-en-1-amine?
The IUPAC name of N-methyl-4-(4-methylphenoxy)but-2-en-1-amine (CID 171158072) is N-methyl-4-(4-methylphenoxy)but-2-en-1-amine.
What is the SMILES notation for N-methyl-4-(4-methylphenoxy)but-2-en-1-amine?
The canonical SMILES for N-methyl-4-(4-methylphenoxy)but-2-en-1-amine is CNCC=CCOc1ccc(C)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenoxy)but-2-en-1-amine?
The InChIKey is HKIPPVSLELCABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11-5-7-12(8-6-11)14-10-4-3-9-13-2/h3-8,13H,9-10H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenoxy)but-2-en-1-amine?
N-methyl-4-(4-methylphenoxy)but-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenoxy)but-2-en-1-amine is sourced from PubChem (CID 171158072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).