N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

C15H18IN3 — CID 115530719

IUPACN-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccnc(C)n1
InChIInChI=1S/C15H18IN3/c1-3-17-15(14-8-9-18-11(2)19-14)10-12-4-6-13(16)7-5-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyRVJKPZNMXJHPST-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.28
Rot. Bonds5

About N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530719) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530719
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccnc(C)n1
InChIInChI=1S/C15H18IN3/c1-3-17-15(14-8-9-18-11(2)19-14)10-12-4-6-13(16)7-5-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyRVJKPZNMXJHPST-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.28
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

2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611
N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 65476888
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530719) is N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is CCNC(Cc1ccc(I)cc1)c1ccnc(C)n1.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is RVJKPZNMXJHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-3-17-15(14-8-9-18-11(2)19-14)10-12-4-6-13(16)7-5-12/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 367.23 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).