(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C24H27NO3 — CID 1368185

IUPAC(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H27NO3/c1-26-22-15-14-20(23(27-2)24(22)28-3)17-25-21(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,21,25H,16-17H2,1-3H3/t21-/m1/s1
InChIKeyJBQUAGNGMDWXIB-OAQYLSRUSA-N
MW377.48 g/mol
LogP4.79
Rot. Bonds9

About (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 1368185) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID1368185
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H27NO3/c1-26-22-15-14-20(23(27-2)24(22)28-3)17-25-21(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,21,25H,16-17H2,1-3H3/t21-/m1/s1
InChIKeyJBQUAGNGMDWXIB-OAQYLSRUSA-N
XLogP4.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 119139053
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 63842268
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 1368185) is (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is JBQUAGNGMDWXIB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-22-15-14-20(23(27-2)24(22)28-3)17-25-21(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,21,25H,16-17H2,1-3H3/t21-/m1/s1.
What are the key properties of (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 377.48 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 1368185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).