2-(2-chloro-4-methoxyphenyl)-3-methylazetidine

C11H14ClNO — CID 116822166

IUPAC2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
SMILESCOc1ccc(C2NCC2C)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-6-13-11(7)9-4-3-8(14-2)5-10(9)12/h3-5,7,11,13H,6H2,1-2H3
InChIKeyADQBPFGICOJONJ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.63
Rot. Bonds2

About 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine

2-(2-chloro-4-methoxyphenyl)-3-methylazetidine (PubChem CID 116822166) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
PubChem CID116822166
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
SMILESCOc1ccc(C2NCC2C)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-6-13-11(7)9-4-3-8(14-2)5-10(9)12/h3-5,7,11,13H,6H2,1-2H3
InChIKeyADQBPFGICOJONJ-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
(3R,4S)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 155904610
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
1-(2-chloro-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3986399
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 58598878
5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
CID 134693745
6-methoxy-2-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine 1-oxide
CID 79368004
2-(3-methoxyphenyl)azetidine-3-carboxylic acid
CID 105460068
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine (CID 116822166) is 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine is COc1ccc(C2NCC2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine?
The InChIKey is ADQBPFGICOJONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-6-13-11(7)9-4-3-8(14-2)5-10(9)12/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine?
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine has a molecular weight of 211.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-3-methylazetidine is sourced from PubChem (CID 116822166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).