N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C17H25N3O — CID 105180782

IUPACN-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCCOc1ccccc1C(NC)c1c(C)nn(C)c1C
InChIInChI=1S/C17H25N3O/c1-6-11-21-15-10-8-7-9-14(15)17(18-4)16-12(2)19-20(5)13(16)3/h7-10,17-18H,6,11H2,1-5H3
InChIKeyFXXUIJQHTCLDFM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.13
Rot. Bonds6

About N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105180782) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105180782
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCCOc1ccccc1C(NC)c1c(C)nn(C)c1C
InChIInChI=1S/C17H25N3O/c1-6-11-21-15-10-8-7-9-14(15)17(18-4)16-12(2)19-20(5)13(16)3/h7-10,17-18H,6,11H2,1-5H3
InChIKeyFXXUIJQHTCLDFM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660704
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
N-[(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105174720

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105180782) is N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CCCOc1ccccc1C(NC)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is FXXUIJQHTCLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-11-21-15-10-8-7-9-14(15)17(18-4)16-12(2)19-20(5)13(16)3/h7-10,17-18H,6,11H2,1-5H3.
What are the key properties of N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105180782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).