1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine

C20H27NO — CID 15061887

IUPAC1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCCOc1ccc(CC(C)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-3-22-20-13-11-19(12-14-20)16-17(2)21-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3
InChIKeyJNGOZXBXXKVROX-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.24
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine

1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine (PubChem CID 15061887) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine
PubChem CID15061887
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCCOc1ccc(CC(C)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-3-22-20-13-11-19(12-14-20)16-17(2)21-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3
InChIKeyJNGOZXBXXKVROX-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.24
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 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine (CID 15061887) is 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine is CCOc1ccc(CC(C)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is JNGOZXBXXKVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-22-20-13-11-19(12-14-20)16-17(2)21-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine?
1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 15061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).