2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine

C12H17NO — CID 144546494

IUPAC2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
SMILESC=Cc1ccc(CCNC)cc1OC
InChIInChI=1S/C12H17NO/c1-4-11-6-5-10(7-8-13-2)9-12(11)14-3/h4-6,9,13H,1,7-8H2,2-3H3
InChIKeyYXASLXKOIQKBNO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine

2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine (PubChem CID 144546494) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
PubChem CID144546494
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
SMILESC=Cc1ccc(CCNC)cc1OC
InChIInChI=1S/C12H17NO/c1-4-11-6-5-10(7-8-13-2)9-12(11)14-3/h4-6,9,13H,1,7-8H2,2-3H3
InChIKeyYXASLXKOIQKBNO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
CID 167731618
[2-methoxy-4-[2-(methylamino)ethyl]phenyl] 2-methylpropanoate
CID 166668428
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine (CID 144546494) is 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine is C=Cc1ccc(CCNC)cc1OC.
What is the InChIKey of 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is YXASLXKOIQKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-11-6-5-10(7-8-13-2)9-12(11)14-3/h4-6,9,13H,1,7-8H2,2-3H3.
What are the key properties of 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine?
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 144546494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).