N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine

C19H24IN — CID 63527278

IUPACN-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccccc1I
InChIInChI=1S/C19H24IN/c1-4-11-21-19(17-7-5-6-8-18(17)20)13-16-10-9-14(2)15(3)12-16/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyOCDDSRBCCLWZQZ-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.19
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine

N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine (PubChem CID 63527278) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
PubChem CID63527278
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccccc1I
InChIInChI=1S/C19H24IN/c1-4-11-21-19(17-7-5-6-8-18(17)20)13-16-10-9-14(2)15(3)12-16/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyOCDDSRBCCLWZQZ-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
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-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
N-[2-(4-chloro-3-fluorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 107892255
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
N-[2-(5-ethylthiophen-2-yl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 115842306
N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 115484151
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine (CID 63527278) is N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)c1ccccc1I.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
The InChIKey is OCDDSRBCCLWZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-4-11-21-19(17-7-5-6-8-18(17)20)13-16-10-9-14(2)15(3)12-16/h5-10,12,19,21H,4,11,13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine has a molecular weight of 393.31 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63527278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).