N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine

C17H25N3O — CID 115954077

IUPACN-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(COc2c(C)cccc2CNC(C)C)n(C)n1
InChIInChI=1S/C17H25N3O/c1-12(2)18-10-15-8-6-7-13(3)17(15)21-11-16-9-14(4)19-20(16)5/h6-9,12,18H,10-11H2,1-5H3
InChIKeyBVMUVTRDORCELM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds6

About N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine

N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine (PubChem CID 115954077) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
PubChem CID115954077
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(COc2c(C)cccc2CNC(C)C)n(C)n1
InChIInChI=1S/C17H25N3O/c1-12(2)18-10-15-8-6-7-13(3)17(15)21-11-16-9-14(4)19-20(16)5/h6-9,12,18H,10-11H2,1-5H3
InChIKeyBVMUVTRDORCELM-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954092
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 115953447
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 112613264
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 115958488
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025674
N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine
CID 112610107

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine (CID 115954077) is N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine is Cc1cc(COc2c(C)cccc2CNC(C)C)n(C)n1.
What is the InChIKey of N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is BVMUVTRDORCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)18-10-15-8-6-7-13(3)17(15)21-11-16-9-14(4)19-20(16)5/h6-9,12,18H,10-11H2,1-5H3.
What are the key properties of N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 115954077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).