2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride

C11H18ClNO2 — CID 141204578

IUPAC2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride
SMILESCOC(OC)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-8-4-6-9(7-5-8)10(12)11(13-2)14-3;/h4-7,10-11H,12H2,1-3H3;1H
InChIKeyBDJKDMZKBWVBRI-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.04
Rot. Bonds4

About 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride

2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride (PubChem CID 141204578) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride
PubChem CID141204578
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride
SMILESCOC(OC)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-8-4-6-9(7-5-8)10(12)11(13-2)14-3;/h4-7,10-11H,12H2,1-3H3;1H
InChIKeyBDJKDMZKBWVBRI-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2,2-Dimethoxy-1-phenylethan-1-amine
CID 21714027
2-Methoxy-1-phenylethan-1-amine
CID 11105539
1-(4-Fluorophenyl)-2-methoxyethan-1-amine
CID 16794201
beta-Amino-4-(1-methylethyl)benzeneethanol
CID 17389826
2-Methoxy-1-phenylethan-1-amine hydrochloride
CID 19693359
(R)-2-Methoxy-1-phenylethanamine hydrochloride
CID 66589172
(1S)-2-methoxy-1-phenylethan-1-amine hydrochloride
CID 70182818
1-Phenyl-2-(trifluoromethoxy)ethan-1-amine hydrochloride
CID 117588007
(1S)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethan-1-amine hydrochloride
CID 155903186
1,3-Dioxan-5-yl(phenyl)methanamine;hydrochloride
CID 12370011
1-Benzyl-2,2-dimethoxyethylamine
CID 66940898

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride (CID 141204578) is 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride is COC(OC)C(N)c1ccc(C)cc1.Cl.
What is the InChIKey of 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride?
The InChIKey is BDJKDMZKBWVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-8-4-6-9(7-5-8)10(12)11(13-2)14-3;/h4-7,10-11H,12H2,1-3H3;1H.
What are the key properties of 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride?
2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-(4-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 141204578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).