N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine

C19H24IN — CID 115482284

IUPACN-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H24IN/c1-4-14-10-11-17(12-15(14)5-2)19(21-6-3)16-8-7-9-18(20)13-16/h7-13,19,21H,4-6H2,1-3H3
InChIKeyNUSRWDISWXLIIL-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.11
Rot. Bonds6

About N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine

N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine (PubChem CID 115482284) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
PubChem CID115482284
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC NameN-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H24IN/c1-4-14-10-11-17(12-15(14)5-2)19(21-6-3)16-8-7-9-18(20)13-16/h7-13,19,21H,4-6H2,1-3H3
InChIKeyNUSRWDISWXLIIL-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488129
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-ethyl-1-(3-iodophenyl)prop-2-yn-1-amine
CID 104995826
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-iodophenyl)methyl]ethanamine
CID 105042306

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine (CID 115482284) is N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine is CCNC(c1cccc(I)c1)c1ccc(CC)c(CC)c1.
What is the InChIKey of N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine?
The InChIKey is NUSRWDISWXLIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-4-14-10-11-17(12-15(14)5-2)19(21-6-3)16-8-7-9-18(20)13-16/h7-13,19,21H,4-6H2,1-3H3.
What are the key properties of N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine?
N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine has a molecular weight of 393.31 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 115482284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).