1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine

C12H16ClNO2 — CID 116869379

IUPAC1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
SMILESCOc1ccc(C2(C(C)N)COC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-8(14)12(6-16-7-12)10-4-3-9(15-2)5-11(10)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeySNSRAEGAPDTRMH-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.96
Rot. Bonds3

About 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine

1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine (PubChem CID 116869379) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
PubChem CID116869379
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
SMILESCOc1ccc(C2(C(C)N)COC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-8(14)12(6-16-7-12)10-4-3-9(15-2)5-11(10)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeySNSRAEGAPDTRMH-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779
1-[3-(2-chloro-5-fluoro-4-methylphenyl)oxetan-3-yl]ethanamine
CID 116869436
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874743
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine
CID 116870658
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine?
The IUPAC name of 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine (CID 116869379) is 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine?
The canonical SMILES for 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine is COc1ccc(C2(C(C)N)COC2)c(Cl)c1.
What is the InChIKey of 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine?
The InChIKey is SNSRAEGAPDTRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(14)12(6-16-7-12)10-4-3-9(15-2)5-11(10)13/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine?
1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine has a molecular weight of 241.72 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).