(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C20H27NO3 — CID 95901161

IUPAC(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCCc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27NO3/c1-6-15-7-9-17(10-8-15)14(2)21-13-16-11-18(22-3)20(24-5)19(12-16)23-4/h7-12,14,21H,6,13H2,1-5H3/t14-/m0/s1
InChIKeyPVDNCRYXAUTKIA-AWEZNQCLSA-N
MW329.44 g/mol
LogP4.13
Rot. Bonds8

About (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 95901161) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID95901161
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCCc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27NO3/c1-6-15-7-9-17(10-8-15)14(2)21-13-16-11-18(22-3)20(24-5)19(12-16)23-4/h7-12,14,21H,6,13H2,1-5H3/t14-/m0/s1
InChIKeyPVDNCRYXAUTKIA-AWEZNQCLSA-N
XLogP4.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
(1S)-1-(3-ethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 94809075
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
(1R)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 30620804
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 78894013
1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 78805305
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791622

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 95901161) is (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is CCc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is PVDNCRYXAUTKIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27NO3/c1-6-15-7-9-17(10-8-15)14(2)21-13-16-11-18(22-3)20(24-5)19(12-16)23-4/h7-12,14,21H,6,13H2,1-5H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 329.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 95901161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).