2-(4-ethoxy-3-methylphenyl)-4-methylazetidine

C13H19NO — CID 116821986

IUPAC2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
SMILESCCOc1ccc(C2CC(C)N2)cc1C
InChIInChI=1S/C13H19NO/c1-4-15-13-6-5-11(7-9(13)2)12-8-10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyNJYJOTGSWFUWNH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine

2-(4-ethoxy-3-methylphenyl)-4-methylazetidine (PubChem CID 116821986) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
PubChem CID116821986
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
SMILESCCOc1ccc(C2CC(C)N2)cc1C
InChIInChI=1S/C13H19NO/c1-4-15-13-6-5-11(7-9(13)2)12-8-10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyNJYJOTGSWFUWNH-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine
CID 116829237
2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
CID 116863457
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
methyl (4R)-4-(4-ethoxy-3-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 885753
2-(4-ethoxy-3-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918521
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine (CID 116821986) is 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine is CCOc1ccc(C2CC(C)N2)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine?
The InChIKey is NJYJOTGSWFUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-13-6-5-11(7-9(13)2)12-8-10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine?
2-(4-ethoxy-3-methylphenyl)-4-methylazetidine has a molecular weight of 205.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-4-methylazetidine is sourced from PubChem (CID 116821986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).