1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride

C18H24ClNO3 — CID 17293395

IUPAC1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)c1ccccc1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-13(14-8-6-5-7-9-14)19-12-15-10-17(21-3)18(22-4)11-16(15)20-2;/h5-11,13,19H,12H2,1-4H3;1H
InChIKeyKMERLLOCVUYSLQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.98
Rot. Bonds7

About 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride

1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17293395) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17293395
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)c1ccccc1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-13(14-8-6-5-7-9-14)19-12-15-10-17(21-3)18(22-4)11-16(15)20-2;/h5-11,13,19H,12H2,1-4H3;1H
InChIKeyKMERLLOCVUYSLQ-UHFFFAOYSA-N
XLogP3.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008361
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66534985
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
(2R)-N-carbamoyl-2-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 8774840

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17293395) is 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride is COc1cc(OC)c(OC)cc1CNC(C)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is KMERLLOCVUYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.ClH/c1-13(14-8-6-5-7-9-14)19-12-15-10-17(21-3)18(22-4)11-16(15)20-2;/h5-11,13,19H,12H2,1-4H3;1H.
What are the key properties of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17293395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).