(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

C14H19N3O — CID 63650094

IUPAC(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCCn2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-3-6-16-17/h3-7,10,12H,8-9,15H2,1-2H3/t12-/m0/s1
InChIKeyYJTOLWZUTILMLF-LBPRGKRZSA-N
MW245.33 g/mol
LogP2.29
Rot. Bonds5

About (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 63650094) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
PubChem CID63650094
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCCn2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-3-6-16-17/h3-7,10,12H,8-9,15H2,1-2H3/t12-/m0/s1
InChIKeyYJTOLWZUTILMLF-LBPRGKRZSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82889440
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
CID 54962304
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (CID 63650094) is (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCCn2cccn2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is YJTOLWZUTILMLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-3-6-16-17/h3-7,10,12H,8-9,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63650094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).