1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine

C15H23NO3 — CID 170589138

IUPAC1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine
SMILESCCc1c(OC)ccc(CN2CC(OC)C2)c1OC
InChIInChI=1S/C15H23NO3/c1-5-13-14(18-3)7-6-11(15(13)19-4)8-16-9-12(10-16)17-2/h6-7,12H,5,8-10H2,1-4H3
InChIKeyPBZCPWAVPJPVJE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds6

About 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine

1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine (PubChem CID 170589138) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine.

Molecular Properties

Compound Name1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine
PubChem CID170589138
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine
SMILESCCc1c(OC)ccc(CN2CC(OC)C2)c1OC
InChIInChI=1S/C15H23NO3/c1-5-13-14(18-3)7-6-11(15(13)19-4)8-16-9-12(10-16)17-2/h6-7,12H,5,8-10H2,1-4H3
InChIKeyPBZCPWAVPJPVJE-UHFFFAOYSA-N
XLogP2.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
5-(2-methoxyethyl)-2-[(2,3,4-trimethoxyphenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 171141815
(3aS,6aR)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120661038
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 170587995
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine?
The IUPAC name of 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine (CID 170589138) is 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine.
What is the SMILES notation for 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine?
The canonical SMILES for 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine is CCc1c(OC)ccc(CN2CC(OC)C2)c1OC.
What is the InChIKey of 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine?
The InChIKey is PBZCPWAVPJPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-13-14(18-3)7-6-11(15(13)19-4)8-16-9-12(10-16)17-2/h6-7,12H,5,8-10H2,1-4H3.
What are the key properties of 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine?
1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine has a molecular weight of 265.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine is sourced from PubChem (CID 170589138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).