N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine

C13H19NO2 — CID 107430238

IUPACN-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
SMILESC=Cc1cc(OC)c(OC)cc1CNCC
InChIInChI=1S/C13H19NO2/c1-5-10-7-12(15-3)13(16-4)8-11(10)9-14-6-2/h5,7-8,14H,1,6,9H2,2-4H3
InChIKeyLWEIHKGDCSDWCA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.46
Rot. Bonds6

About N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine

N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 107430238) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID107430238
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
SMILESC=Cc1cc(OC)c(OC)cc1CNCC
InChIInChI=1S/C13H19NO2/c1-5-10-7-12(15-3)13(16-4)8-11(10)9-14-6-2/h5,7-8,14H,1,6,9H2,2-4H3
InChIKeyLWEIHKGDCSDWCA-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]but-3-en-1-amine
CID 113465465
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]but-2-en-1-amine
CID 103605632
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
CID 61033866

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine (CID 107430238) is N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine is C=Cc1cc(OC)c(OC)cc1CNCC.
What is the InChIKey of N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is LWEIHKGDCSDWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10-7-12(15-3)13(16-4)8-11(10)9-14-6-2/h5,7-8,14H,1,6,9H2,2-4H3.
What are the key properties of N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine?
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107430238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).