2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride

C16H20ClNO2 — CID 69173807

IUPAC2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(-c2ccccc2CCN)c1OC.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17;/h3-9H,10-11,17H2,1-2H3;1H
InChIKeyKEEMVHKAEKMGHC-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride

2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride (PubChem CID 69173807) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
PubChem CID69173807
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
SMILESCOc1cccc(-c2ccccc2CCN)c1OC.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17;/h3-9H,10-11,17H2,1-2H3;1H
InChIKeyKEEMVHKAEKMGHC-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[2-(2,3-dimethoxyphenyl)phenyl]-N-methylacetamide
CID 11822216
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride (CID 69173807) is 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride is COc1cccc(-c2ccccc2CCN)c1OC.Cl.
What is the InChIKey of 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride?
The InChIKey is KEEMVHKAEKMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-18-15-9-5-8-14(16(15)19-2)13-7-4-3-6-12(13)10-11-17;/h3-9H,10-11,17H2,1-2H3;1H.
What are the key properties of 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride?
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 69173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).