(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

C20H27NO5 — CID 9396251

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CN[C@@H](C)c2cc(OC)ccc2OC)c(OC)c1
InChIInChI=1S/C20H27NO5/c1-13(16-9-14(22-2)7-8-18(16)24-4)21-12-17-19(25-5)10-15(23-3)11-20(17)26-6/h7-11,13,21H,12H2,1-6H3/t13-/m0/s1
InChIKeyFYEGAWDEURNYTC-ZDUSSCGKSA-N
MW361.44 g/mol
LogP3.58
Rot. Bonds9

About (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (PubChem CID 9396251) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
PubChem CID9396251
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CN[C@@H](C)c2cc(OC)ccc2OC)c(OC)c1
InChIInChI=1S/C20H27NO5/c1-13(16-9-14(22-2)7-8-18(16)24-4)21-12-17-19(25-5)10-15(23-3)11-20(17)26-6/h7-11,13,21H,12H2,1-6H3/t13-/m0/s1
InChIKeyFYEGAWDEURNYTC-ZDUSSCGKSA-N
XLogP3.58
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
CID 170982893
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
2-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]benzonitrile
CID 42921657
1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62757409
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (CID 9396251) is (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(CN[C@@H](C)c2cc(OC)ccc2OC)c(OC)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is FYEGAWDEURNYTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H27NO5/c1-13(16-9-14(22-2)7-8-18(16)24-4)21-12-17-19(25-5)10-15(23-3)11-20(17)26-6/h7-11,13,21H,12H2,1-6H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 361.44 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 9396251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).