N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine

C13H19NO — CID 54849949

IUPACN-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)COc1cccc(CNCC)c1
InChIInChI=1S/C13H19NO/c1-4-14-9-12-6-5-7-13(8-12)15-10-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXEQNMLSNVUSJRG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds6

About N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine

N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine (PubChem CID 54849949) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
PubChem CID54849949
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)COc1cccc(CNCC)c1
InChIInChI=1S/C13H19NO/c1-4-14-9-12-6-5-7-13(8-12)15-10-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXEQNMLSNVUSJRG-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
4-[[[3-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 46998054
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54855852
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 170769259
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine (CID 54849949) is N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine is C=C(C)COc1cccc(CNCC)c1.
What is the InChIKey of N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The InChIKey is XEQNMLSNVUSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-9-12-6-5-7-13(8-12)15-10-11(2)3/h5-8,14H,2,4,9-10H2,1,3H3.
What are the key properties of N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54849949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).