1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride

C16H20ClNO2 — CID 54599738

IUPAC1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(CC(N)c2cccc(OC)c2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2;/h3-9,11,16H,10,17H2,1-2H3;1H
InChIKeyGWCYVINHOSHPIR-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.37
Rot. Bonds5

About 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride

1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 54599738) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
PubChem CID54599738
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(CC(N)c2cccc(OC)c2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2;/h3-9,11,16H,10,17H2,1-2H3;1H
InChIKeyGWCYVINHOSHPIR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43186861

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride (CID 54599738) is 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride is COc1cccc(CC(N)c2cccc(OC)c2)c1.Cl.
What is the InChIKey of 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is GWCYVINHOSHPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-18-14-7-3-5-12(9-14)10-16(17)13-6-4-8-15(11-13)19-2;/h3-9,11,16H,10,17H2,1-2H3;1H.
What are the key properties of 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride?
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 54599738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).