N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

C12H20ClNO3 — CID 17295657

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1cccc(OC)c1OC.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-14-8-7-13-9-10-5-4-6-11(15-2)12(10)16-3;/h4-6,13H,7-9H2,1-3H3;1H
InChIKeyVTCZSHHNMOLZHN-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.86
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 17295657) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID17295657
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1cccc(OC)c1OC.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-14-8-7-13-9-10-5-4-6-11(15-2)12(10)16-3;/h4-6,13H,7-9H2,1-3H3;1H
InChIKeyVTCZSHHNMOLZHN-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844818
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 17295657) is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1cccc(OC)c1OC.Cl.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is VTCZSHHNMOLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-14-8-7-13-9-10-5-4-6-11(15-2)12(10)16-3;/h4-6,13H,7-9H2,1-3H3;1H.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 17295657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).