1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine

C15H20ClN3O — CID 102999983

IUPAC1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2ccnn2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(17-2)12-4-5-15(14(16)10-12)20-9-7-13-6-8-18-19(13)3/h4-6,8,10-11,17H,7,9H2,1-3H3
InChIKeyFILRNJDLCCYTRN-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.98
Rot. Bonds6

About 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine

1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine (PubChem CID 102999983) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
PubChem CID102999983
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2ccnn2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(17-2)12-4-5-15(14(16)10-12)20-9-7-13-6-8-18-19(13)3/h4-6,8,10-11,17H,7,9H2,1-3H3
InChIKeyFILRNJDLCCYTRN-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine (CID 102999983) is 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCc2ccnn2C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is FILRNJDLCCYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(17-2)12-4-5-15(14(16)10-12)20-9-7-13-6-8-18-19(13)3/h4-6,8,10-11,17H,7,9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine?
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 102999983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).