1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C14H18IN3 — CID 114030234

IUPAC1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cccc(C)c1I
InChIInChI=1S/C14H18IN3/c1-10-5-4-6-12(14(10)15)13(16-2)9-11-7-8-18(3)17-11/h4-8,13,16H,9H2,1-3H3
InChIKeyGKSLCIOJKIBJGC-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 114030234) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID114030234
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC Name1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cccc(C)c1I
InChIInChI=1S/C14H18IN3/c1-10-5-4-6-12(14(10)15)13(16-2)9-11-7-8-18(3)17-11/h4-8,13,16H,9H2,1-3H3
InChIKeyGKSLCIOJKIBJGC-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
N-methyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82876005
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
N-methyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 82877517
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025411
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82868513
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025275
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 82877213
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 114030234) is 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1cccc(C)c1I.
What is the InChIKey of 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is GKSLCIOJKIBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3/c1-10-5-4-6-12(14(10)15)13(16-2)9-11-7-8-18(3)17-11/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 355.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114030234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).