2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride

C15H18ClNO — CID 162319183

IUPAC2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1cccc(OCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13;/h2-10,15H,11,16H2,1H3;1H
InChIKeyFEGNVUQSCYYBKC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride

2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride (PubChem CID 162319183) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride
PubChem CID162319183
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1cccc(OCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13;/h2-10,15H,11,16H2,1H3;1H
InChIKeyFEGNVUQSCYYBKC-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride (CID 162319183) is 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride is Cc1cccc(OCC(N)c2ccccc2)c1.Cl.
What is the InChIKey of 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride?
The InChIKey is FEGNVUQSCYYBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13;/h2-10,15H,11,16H2,1H3;1H.
What are the key properties of 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride?
2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 162319183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).