(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

C15H19Cl2N3O — CID 79025743

IUPAC(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCn1nc(C)c(Cl)c1COc1ccc(Cl)cc1[C@H](C)N
InChIInChI=1S/C15H19Cl2N3O/c1-4-20-13(15(17)10(3)19-20)8-21-14-6-5-11(16)7-12(14)9(2)18/h5-7,9H,4,8,18H2,1-3H3/t9-/m0/s1
InChIKeyONCYUSYIKKSRDU-VIFPVBQESA-N
MW328.24 g/mol
LogP4.12
Rot. Bonds5

About (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 79025743) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID79025743
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCn1nc(C)c(Cl)c1COc1ccc(Cl)cc1[C@H](C)N
InChIInChI=1S/C15H19Cl2N3O/c1-4-20-13(15(17)10(3)19-20)8-21-14-6-5-11(16)7-12(14)9(2)18/h5-7,9H,4,8,18H2,1-3H3/t9-/m0/s1
InChIKeyONCYUSYIKKSRDU-VIFPVBQESA-N
XLogP4.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
(1R)-1-[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 78933015
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
CID 79168716
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (CID 79025743) is (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is CCn1nc(C)c(Cl)c1COc1ccc(Cl)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is ONCYUSYIKKSRDU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-4-20-13(15(17)10(3)19-20)8-21-14-6-5-11(16)7-12(14)9(2)18/h5-7,9H,4,8,18H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 328.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79025743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).