2-ethoxy-3-phenylmethoxypropan-1-amine

C12H19NO2 — CID 63069675

IUPAC2-ethoxy-3-phenylmethoxypropan-1-amine
SMILESCCOC(CN)COCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-15-12(8-13)10-14-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3
InChIKeyNEIRPTUVKLCVOW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds7

About 2-ethoxy-3-phenylmethoxypropan-1-amine

2-ethoxy-3-phenylmethoxypropan-1-amine (PubChem CID 63069675) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethoxy-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-phenylmethoxypropan-1-amine
PubChem CID63069675
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-ethoxy-3-phenylmethoxypropan-1-amine
SMILESCCOC(CN)COCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-15-12(8-13)10-14-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3
InChIKeyNEIRPTUVKLCVOW-UHFFFAOYSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-dodecoxy-3-phenylmethoxypropan-1-amine
CID 134231556
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
N-(2-ethoxy-3-phenylmethoxypropyl)-N-methyloctadecan-1-amine
CID 19897854
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
CID 118110417
(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
CID 155015010
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(213C)ethoxymethylbenzene
CID 87947851
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
2-fluorobutoxymethylbenzene
CID 121368179

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-ethoxy-3-phenylmethoxypropan-1-amine (CID 63069675) is 2-ethoxy-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-ethoxy-3-phenylmethoxypropan-1-amine is CCOC(CN)COCc1ccccc1.
What is the InChIKey of 2-ethoxy-3-phenylmethoxypropan-1-amine?
The InChIKey is NEIRPTUVKLCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-15-12(8-13)10-14-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3.
What are the key properties of 2-ethoxy-3-phenylmethoxypropan-1-amine?
2-ethoxy-3-phenylmethoxypropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 63069675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).