N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

C18H22IN — CID 63527594

IUPACN-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-3-12-20-18(16-8-10-17(19)11-9-16)13-15-6-4-14(2)5-7-15/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyNPKQAVNFPXIWEM-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.88
Rot. Bonds6

About N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 63527594) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID63527594
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC NameN-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-3-12-20-18(16-8-10-17(19)11-9-16)13-15-6-4-14(2)5-7-15/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyNPKQAVNFPXIWEM-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.88
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-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (CID 63527594) is N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is NPKQAVNFPXIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-3-12-20-18(16-8-10-17(19)11-9-16)13-15-6-4-14(2)5-7-15/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 379.29 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).