N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine

C13H19NO — CID 105348927

IUPACN-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
SMILESC=CCOCc1ccc(CCNC)cc1
InChIInChI=1S/C13H19NO/c1-3-10-15-11-13-6-4-12(5-7-13)8-9-14-2/h3-7,14H,1,8-11H2,2H3
InChIKeyIOZMFSRUPZHBEJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.15
Rot. Bonds7

About N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine

N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine (PubChem CID 105348927) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
PubChem CID105348927
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
SMILESC=CCOCc1ccc(CCNC)cc1
InChIInChI=1S/C13H19NO/c1-3-10-15-11-13-6-4-12(5-7-13)8-9-14-2/h3-7,14H,1,8-11H2,2H3
InChIKeyIOZMFSRUPZHBEJ-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
[4-(prop-2-enoxymethyl)phenyl]methanamine
CID 62442288
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
CID 105351152
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
1-(2-methylbutyl)-4-(prop-2-enoxymethyl)benzene
CID 21058844
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine (CID 105348927) is N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine is C=CCOCc1ccc(CCNC)cc1.
What is the InChIKey of N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine?
The InChIKey is IOZMFSRUPZHBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-15-11-13-6-4-12(5-7-13)8-9-14-2/h3-7,14H,1,8-11H2,2H3.
What are the key properties of N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine?
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105348927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).