2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

C14H18ClN3O — CID 116804277

IUPAC2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2cccc(Cl)c2CCN)cn1
InChIInChI=1S/C14H18ClN3O/c1-10(2)18-9-11(8-17-18)19-14-5-3-4-13(15)12(14)6-7-16/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyVBPUGJJRPOPFRQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116804277) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116804277
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2cccc(Cl)c2CCN)cn1
InChIInChI=1S/C14H18ClN3O/c1-10(2)18-9-11(8-17-18)19-14-5-3-4-13(15)12(14)6-7-16/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyVBPUGJJRPOPFRQ-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]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-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
4-[2-(bromomethyl)-6-chlorophenoxy]-1-propan-2-ylpyrazole
CID 114068060
2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
CID 167429894
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
1-[4-(2-chlorophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125305
2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804257
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
2-methylsulfonyl-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800626

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116804277) is 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is CC(C)n1cc(Oc2cccc(Cl)c2CCN)cn1.
What is the InChIKey of 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is VBPUGJJRPOPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)18-9-11(8-17-18)19-14-5-3-4-13(15)12(14)6-7-16/h3-5,8-10H,6-7,16H2,1-2H3.
What are the key properties of 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116804277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).