N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine

C14H21NO3 — CID 60888312

IUPACN-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1c(OC)cc(CNCC)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-7-18-14-12(16-3)8-11(10-15-6-2)9-13(14)17-4/h5,8-9,15H,1,6-7,10H2,2-4H3
InChIKeyADGFTZVVUFYBGH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds8

About N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine

N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 60888312) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID60888312
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1c(OC)cc(CNCC)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-7-18-14-12(16-3)8-11(10-15-6-2)9-13(14)17-4/h5,8-9,15H,1,6-7,10H2,2-4H3
InChIKeyADGFTZVVUFYBGH-UHFFFAOYSA-N
XLogP2.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215707
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2958646
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
2-[2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17332395
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291143
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 4724199
5-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211747
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332568
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210603
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17209419
N'-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215845

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine (CID 60888312) is N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1c(OC)cc(CNCC)cc1OC.
What is the InChIKey of N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is ADGFTZVVUFYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-7-18-14-12(16-3)8-11(10-15-6-2)9-13(14)17-4/h5,8-9,15H,1,6-7,10H2,2-4H3.
What are the key properties of N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).