N-(2-methoxyethyl)-3-phenylpropan-1-amine

C12H19NO — CID 10176503

IUPACN-(2-methoxyethyl)-3-phenylpropan-1-amine
SMILESCOCCNCCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyYQJANHCNGMBHIB-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds7

About N-(2-methoxyethyl)-3-phenylpropan-1-amine

N-(2-methoxyethyl)-3-phenylpropan-1-amine (PubChem CID 10176503) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenylpropan-1-amine
PubChem CID10176503
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2-methoxyethyl)-3-phenylpropan-1-amine
SMILESCOCCNCCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyYQJANHCNGMBHIB-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
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 N-(2-methoxyethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-phenylpropan-1-amine (CID 10176503) is N-(2-methoxyethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-phenylpropan-1-amine is COCCNCCCc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-3-phenylpropan-1-amine?
The InChIKey is YQJANHCNGMBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-phenylpropan-1-amine?
N-(2-methoxyethyl)-3-phenylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 10176503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).