2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride

C16H20ClNO2 — CID 11702056

IUPAC2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(COc2ccc(CCN)cc2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17;/h2-8,11H,9-10,12,17H2,1H3;1H
InChIKeyLNAJZTIHCHVMBP-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.20
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride

2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride (PubChem CID 11702056) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
PubChem CID11702056
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(COc2ccc(CCN)cc2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17;/h2-8,11H,9-10,12,17H2,1H3;1H
InChIKeyLNAJZTIHCHVMBP-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride (CID 11702056) is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride is COc1cccc(COc2ccc(CCN)cc2)c1.Cl.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The InChIKey is LNAJZTIHCHVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17;/h2-8,11H,9-10,12,17H2,1H3;1H.
What are the key properties of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 11702056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).