[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride

C11H18ClNO3 — CID 43810786

IUPAC[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
SMILESCOCCOc1ccc(CN)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-13-5-6-15-10-4-3-9(8-12)7-11(10)14-2;/h3-4,7H,5-6,8,12H2,1-2H3;1H
InChIKeySMGKZICTZDEEMM-UHFFFAOYSA-N
MW247.72 g/mol
LogP1.60
Rot. Bonds6

About [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride

[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride (PubChem CID 43810786) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
PubChem CID43810786
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
SMILESCOCCOc1ccc(CN)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-13-5-6-15-10-4-3-9(8-12)7-11(10)14-2;/h3-4,7H,5-6,8,12H2,1-2H3;1H
InChIKeySMGKZICTZDEEMM-UHFFFAOYSA-N
XLogP1.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.60
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

[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride (CID 43810786) is [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride is COCCOc1ccc(CN)cc1OC.Cl.
What is the InChIKey of [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is SMGKZICTZDEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-13-5-6-15-10-4-3-9(8-12)7-11(10)14-2;/h3-4,7H,5-6,8,12H2,1-2H3;1H.
What are the key properties of [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride?
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 43810786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).