N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

C16H22ClN3O — CID 115952967

IUPACN-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cc(C)nn1CC
InChIInChI=1S/C16H22ClN3O/c1-4-18-10-13-7-6-8-15(17)16(13)21-11-14-9-12(3)19-20(14)5-2/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyAXHAGOMEAPHEGQ-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.55
Rot. Bonds7

About N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115952967) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID115952967
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC NameN-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cc(C)nn1CC
InChIInChI=1S/C16H22ClN3O/c1-4-18-10-13-7-6-8-15(17)16(13)21-11-14-9-12(3)19-20(14)5-2/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyAXHAGOMEAPHEGQ-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609327
N-[[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609400
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
N-[[3-chloro-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952991
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 115952967) is N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCc1cc(C)nn1CC.
What is the InChIKey of N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is AXHAGOMEAPHEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-18-10-13-7-6-8-15(17)16(13)21-11-14-9-12(3)19-20(14)5-2/h6-9,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 307.82 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115952967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).