N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

C15H20ClN3O — CID 61491521

IUPACN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C15H20ClN3O/c1-12(2)17-11-13-10-14(16)4-5-15(13)20-9-8-19-7-3-6-18-19/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyRAIJJJWNPUQUOP-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.11
Rot. Bonds7

About N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 61491521) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID61491521
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C15H20ClN3O/c1-12(2)17-11-13-10-14(16)4-5-15(13)20-9-8-19-7-3-6-18-19/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyRAIJJJWNPUQUOP-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-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
CID 54961991
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491744
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[5-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058034

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 61491521) is N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)ccc1OCCn1cccn1.
What is the InChIKey of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is RAIJJJWNPUQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(2)17-11-13-10-14(16)4-5-15(13)20-9-8-19-7-3-6-18-19/h3-7,10,12,17H,8-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)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-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61491521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).