1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine

C14H22N2O — CID 69186784

IUPAC1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccc(C(C)N2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-9-10(2)14(17-4)6-5-13(9)11(3)16-7-12(15)8-16/h5-6,11-12H,7-8,15H2,1-4H3
InChIKeyNXHZCMCDTXRUJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds3

About 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine

1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine (PubChem CID 69186784) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
PubChem CID69186784
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccc(C(C)N2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-9-10(2)14(17-4)6-5-13(9)11(3)16-7-12(15)8-16/h5-6,11-12H,7-8,15H2,1-4H3
InChIKeyNXHZCMCDTXRUJJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]methanamine
CID 69192601
2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 71124951
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 71124574
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine
CID 58588861
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine (CID 69186784) is 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine is COc1ccc(C(C)N2CC(N)C2)c(C)c1C.
What is the InChIKey of 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine?
The InChIKey is NXHZCMCDTXRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-10(2)14(17-4)6-5-13(9)11(3)16-7-12(15)8-16/h5-6,11-12H,7-8,15H2,1-4H3.
What are the key properties of 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine?
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 69186784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).