1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine

C15H20ClN3O — CID 103030418

IUPAC1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)COc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-17-13(6-7-14-8-9-18-19(14)2)11-20-15-5-3-4-12(16)10-15/h3-5,8-10,13,17H,6-7,11H2,1-2H3
InChIKeyBSGOZHHCVLKAAT-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.67
Rot. Bonds7

About 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine

1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103030418) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103030418
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)COc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-17-13(6-7-14-8-9-18-19(14)2)11-20-15-5-3-4-12(16)10-15/h3-5,8-10,13,17H,6-7,11H2,1-2H3
InChIKeyBSGOZHHCVLKAAT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 105150152
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103027979
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103030418) is 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is CNC(CCc1ccnn1C)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is BSGOZHHCVLKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-17-13(6-7-14-8-9-18-19(14)2)11-20-15-5-3-4-12(16)10-15/h3-5,8-10,13,17H,6-7,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103030418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).