N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine

C15H21N3O — CID 105104689

IUPACN-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(9-12)19-8-7-15(16-2)13-10-17-18(3)11-13/h4-6,9-11,15-16H,7-8H2,1-3H3
InChIKeyHWNWHMFXCQWOKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine

N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 105104689) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID105104689
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12-5-4-6-14(9-12)19-8-7-15(16-2)13-10-17-18(3)11-13/h4-6,9-11,15-16H,7-8H2,1-3H3
InChIKeyHWNWHMFXCQWOKO-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105119056
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175045
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 105104689) is N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCOc1cccc(C)c1)c1cnn(C)c1.
What is the InChIKey of N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is HWNWHMFXCQWOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-5-4-6-14(9-12)19-8-7-15(16-2)13-10-17-18(3)11-13/h4-6,9-11,15-16H,7-8H2,1-3H3.
What are the key properties of N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine?
N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105104689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).