1-[4-(2-methoxyethyl)phenyl]propan-2-amine

C12H19NO — CID 76548340

IUPAC1-[4-(2-methoxyethyl)phenyl]propan-2-amine
SMILESCOCCc1ccc(CC(C)N)cc1
InChIInChI=1S/C12H19NO/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3
InChIKeyQTJRPXKMVKLTBY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-(2-methoxyethyl)phenyl]propan-2-amine

1-[4-(2-methoxyethyl)phenyl]propan-2-amine (PubChem CID 76548340) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]propan-2-amine
PubChem CID76548340
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[4-(2-methoxyethyl)phenyl]propan-2-amine
SMILESCOCCc1ccc(CC(C)N)cc1
InChIInChI=1S/C12H19NO/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3
InChIKeyQTJRPXKMVKLTBY-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]propan-2-amine (CID 76548340) is 1-[4-(2-methoxyethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]propan-2-amine is COCCc1ccc(CC(C)N)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]propan-2-amine?
The InChIKey is QTJRPXKMVKLTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]propan-2-amine?
1-[4-(2-methoxyethyl)phenyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]propan-2-amine is sourced from PubChem (CID 76548340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).