N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

C15H20ClN3O — CID 62440381

IUPACN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C15H20ClN3O/c1-12(2)17-9-13-3-5-15(6-4-13)20-8-7-19-11-14(16)10-18-19/h3-6,10-12,17H,7-9H2,1-2H3
InChIKeyJFMIVKNORMJMNY-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.11
Rot. Bonds7

About N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62440381) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62440381
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C15H20ClN3O/c1-12(2)17-9-13-3-5-15(6-4-13)20-8-7-19-11-14(16)10-18-19/h3-6,10-12,17H,7-9H2,1-2H3
InChIKeyJFMIVKNORMJMNY-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[[2-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62442705
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114413229
N-[1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732152

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 62440381) is N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCn2cc(Cl)cn2)cc1.
What is the InChIKey of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is JFMIVKNORMJMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(2)17-9-13-3-5-15(6-4-13)20-8-7-19-11-14(16)10-18-19/h3-6,10-12,17H,7-9H2,1-2H3.
What are the key properties of N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62440381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).