1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C14H18BrN3O2 — CID 103523398

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H18BrN3O2/c1-16-13(9-7-17-18(2)8-9)10-5-6-11(19-3)12(15)14(10)20-4/h5-8,13,16H,1-4H3
InChIKeyDHROYHXWYOLRFN-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 103523398) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID103523398
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H18BrN3O2/c1-16-13(9-7-17-18(2)8-9)10-5-6-11(19-3)12(15)14(10)20-4/h5-8,13,16H,1-4H3
InChIKeyDHROYHXWYOLRFN-UHFFFAOYSA-N
XLogP2.51
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 62688971
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114028295
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 103523398) is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is DHROYHXWYOLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-16-13(9-7-17-18(2)8-9)10-5-6-11(19-3)12(15)14(10)20-4/h5-8,13,16H,1-4H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 340.22 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103523398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).