3-(2-phenylethoxy)propan-1-amine

C11H17NO — CID 18672790

IUPAC3-(2-phenylethoxy)propan-1-amine
SMILESNCCCOCCc1ccccc1
InChIInChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2
InChIKeyONEOQRJTHAYVJL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-phenylethoxy)propan-1-amine

3-(2-phenylethoxy)propan-1-amine (PubChem CID 18672790) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2-phenylethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-phenylethoxy)propan-1-amine
PubChem CID18672790
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2-phenylethoxy)propan-1-amine
SMILESNCCCOCCc1ccccc1
InChIInChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2
InChIKeyONEOQRJTHAYVJL-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)propan-1-amine?
The IUPAC name of 3-(2-phenylethoxy)propan-1-amine (CID 18672790) is 3-(2-phenylethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-phenylethoxy)propan-1-amine?
The canonical SMILES for 3-(2-phenylethoxy)propan-1-amine is NCCCOCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethoxy)propan-1-amine?
The InChIKey is ONEOQRJTHAYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2.
What are the key properties of 3-(2-phenylethoxy)propan-1-amine?
3-(2-phenylethoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)propan-1-amine is sourced from PubChem (CID 18672790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).