2-methoxy-2-(3-propoxyphenyl)ethanamine

C12H19NO2 — CID 66072172

IUPAC2-methoxy-2-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-3-7-15-11-6-4-5-10(8-11)12(9-13)14-2/h4-6,8,12H,3,7,9,13H2,1-2H3
InChIKeyJKBAQBVKIXRLQK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.12
Rot. Bonds6

About 2-methoxy-2-(3-propoxyphenyl)ethanamine

2-methoxy-2-(3-propoxyphenyl)ethanamine (PubChem CID 66072172) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-2-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(3-propoxyphenyl)ethanamine
PubChem CID66072172
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-2-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(CN)OC)c1
InChIInChI=1S/C12H19NO2/c1-3-7-15-11-6-4-5-10(8-11)12(9-13)14-2/h4-6,8,12H,3,7,9,13H2,1-2H3
InChIKeyJKBAQBVKIXRLQK-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
CID 66742845
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
2-(3-iodophenyl)-2-methoxyethanamine
CID 130518588
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-methoxy-2-(3-propoxyphenyl)ethanamine (CID 66072172) is 2-methoxy-2-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-methoxy-2-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(CN)OC)c1.
What is the InChIKey of 2-methoxy-2-(3-propoxyphenyl)ethanamine?
The InChIKey is JKBAQBVKIXRLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-7-15-11-6-4-5-10(8-11)12(9-13)14-2/h4-6,8,12H,3,7,9,13H2,1-2H3.
What are the key properties of 2-methoxy-2-(3-propoxyphenyl)ethanamine?
2-methoxy-2-(3-propoxyphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 66072172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).