N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

C15H20ClN3O2 — CID 104664579

IUPACN-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1ccn(C)n1
InChIInChI=1S/C15H20ClN3O2/c1-4-17-9-11-7-12(16)8-14(20-3)15(11)21-10-13-5-6-19(2)18-13/h5-8,17H,4,9-10H2,1-3H3
InChIKeyMEZHLKLZKNIOOA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.77
Rot. Bonds7

About N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 104664579) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID104664579
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1ccn(C)n1
InChIInChI=1S/C15H20ClN3O2/c1-4-17-9-11-7-12(16)8-14(20-3)15(11)21-10-13-5-6-19(2)18-13/h5-8,17H,4,9-10H2,1-3H3
InChIKeyMEZHLKLZKNIOOA-UHFFFAOYSA-N
XLogP2.77
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 82865368
4-chloro-2-methoxy-6-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104651121
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104664687
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
N-[[5-chloro-3-methoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664670
N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664701
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
CID 104664675

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 104664579) is N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(OC)c1OCc1ccn(C)n1.
What is the InChIKey of N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is MEZHLKLZKNIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-17-9-11-7-12(16)8-14(20-3)15(11)21-10-13-5-6-19(2)18-13/h5-8,17H,4,9-10H2,1-3H3.
What are the key properties of N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 104664579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).