1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride

C20H28ClNO3 — CID 47009124

IUPAC1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2c(C)cc(C)cc2C)cc(OC)c1OC.Cl
InChIInChI=1S/C20H27NO3.ClH/c1-13-7-14(2)17(15(3)8-13)12-21-11-16-9-18(22-4)20(24-6)19(10-16)23-5;/h7-10,21H,11-12H2,1-6H3;1H
InChIKeyAIASZZCUAXROEG-UHFFFAOYSA-N
MW365.90 g/mol
LogP4.35
Rot. Bonds7

About 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride

1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride (PubChem CID 47009124) has the molecular formula C20H28ClNO3 and a molecular weight of 365.90 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
PubChem CID47009124
Molecular FormulaC20H28ClNO3
Molecular Weight365.90 g/mol
Exact Mass365.18
IUPAC Name1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2c(C)cc(C)cc2C)cc(OC)c1OC.Cl
InChIInChI=1S/C20H27NO3.ClH/c1-13-7-14(2)17(15(3)8-13)12-21-11-16-9-18(22-4)20(24-6)19(10-16)23-5;/h7-10,21H,11-12H2,1-6H3;1H
InChIKeyAIASZZCUAXROEG-UHFFFAOYSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 871572
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
CID 110897097
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62749035
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride (CID 47009124) is 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride is COc1cc(CNCc2c(C)cc(C)cc2C)cc(OC)c1OC.Cl.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride?
The InChIKey is AIASZZCUAXROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3.ClH/c1-13-7-14(2)17(15(3)8-13)12-21-11-16-9-18(22-4)20(24-6)19(10-16)23-5;/h7-10,21H,11-12H2,1-6H3;1H.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride?
1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 47009124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).