(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride

C15H24ClNO2 — CID 175283324

IUPAC(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
SMILESCNC[C@H](c1ccc(OC)c(OC)c1)C1CCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-16-10-13(11-5-4-6-11)12-7-8-14(17-2)15(9-12)18-3;/h7-9,11,13,16H,4-6,10H2,1-3H3;1H/t13-;/m0./s1
InChIKeyZNLMSLWVWCWNQK-ZOWNYOTGSA-N
MW285.81 g/mol
LogP3.23
Rot. Bonds6

About (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride

(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride (PubChem CID 175283324) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
PubChem CID175283324
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
SMILESCNC[C@H](c1ccc(OC)c(OC)c1)C1CCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-16-10-13(11-5-4-6-11)12-7-8-14(17-2)15(9-12)18-3;/h7-9,11,13,16H,4-6,10H2,1-3H3;1H/t13-;/m0./s1
InChIKeyZNLMSLWVWCWNQK-ZOWNYOTGSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
4-[bromo(cyclobutyl)methyl]-1,2-dimethoxybenzene
CID 61085730
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride?
The IUPAC name of (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride (CID 175283324) is (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride is CNC[C@H](c1ccc(OC)c(OC)c1)C1CCC1.Cl.
What is the InChIKey of (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride?
The InChIKey is ZNLMSLWVWCWNQK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-16-10-13(11-5-4-6-11)12-7-8-14(17-2)15(9-12)18-3;/h7-9,11,13,16H,4-6,10H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride?
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 175283324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).