3-(2-phenylphenoxy)propan-1-amine;hydrochloride

C15H18ClNO — CID 3079497

IUPAC3-(2-phenylphenoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO.ClH/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13;/h1-5,7-10H,6,11-12,16H2;1H
InChIKeyZMEOGDOFSXLIDH-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.50
Rot. Bonds5

About 3-(2-phenylphenoxy)propan-1-amine;hydrochloride

3-(2-phenylphenoxy)propan-1-amine;hydrochloride (PubChem CID 3079497) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-phenylphenoxy)propan-1-amine;hydrochloride
PubChem CID3079497
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(2-phenylphenoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO.ClH/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13;/h1-5,7-10H,6,11-12,16H2;1H
InChIKeyZMEOGDOFSXLIDH-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.50
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-phenylphenoxy)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2-phenylphenoxy)propan-1-amine;hydrochloride (CID 3079497) is 3-(2-phenylphenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-phenylphenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-phenylphenoxy)propan-1-amine;hydrochloride is Cl.NCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylphenoxy)propan-1-amine;hydrochloride?
The InChIKey is ZMEOGDOFSXLIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13;/h1-5,7-10H,6,11-12,16H2;1H.
What are the key properties of 3-(2-phenylphenoxy)propan-1-amine;hydrochloride?
3-(2-phenylphenoxy)propan-1-amine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 3079497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).