2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine

C12H19NO2 — CID 117299336

IUPAC2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
SMILESCOCC(OC)c1cccc(CCN)c1
InChIInChI=1S/C12H19NO2/c1-14-9-12(15-2)11-5-3-4-10(8-11)6-7-13/h3-5,8,12H,6-7,9,13H2,1-2H3
InChIKeyDVGNCVUVLVYFNJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds6

About 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine

2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine (PubChem CID 117299336) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
PubChem CID117299336
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
SMILESCOCC(OC)c1cccc(CCN)c1
InChIInChI=1S/C12H19NO2/c1-14-9-12(15-2)11-5-3-4-10(8-11)6-7-13/h3-5,8,12H,6-7,9,13H2,1-2H3
InChIKeyDVGNCVUVLVYFNJ-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
CID 66742845
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
2-(3-iodophenyl)-2-methoxyethanamine
CID 130518588
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
2-[3-[[3-(2-aminoethyl)phenyl]disulfanyl]phenyl]ethanamine
CID 57001388
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine (CID 117299336) is 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine is COCC(OC)c1cccc(CCN)c1.
What is the InChIKey of 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine?
The InChIKey is DVGNCVUVLVYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-9-12(15-2)11-5-3-4-10(8-11)6-7-13/h3-5,8,12H,6-7,9,13H2,1-2H3.
What are the key properties of 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine?
2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine is sourced from PubChem (CID 117299336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).