N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine

C18H22IN — CID 79421243

IUPACN-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(I)cc1)c1ccccc1C
InChIInChI=1S/C18H22IN/c1-3-20-13-16(18-7-5-4-6-14(18)2)12-15-8-10-17(19)11-9-15/h4-11,16,20H,3,12-13H2,1-2H3
InChIKeyZYFJYFZPPCKNJF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.54
Rot. Bonds6

About N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine

N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79421243) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79421243
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC NameN-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(I)cc1)c1ccccc1C
InChIInChI=1S/C18H22IN/c1-3-20-13-16(18-7-5-4-6-14(18)2)12-15-8-10-17(19)11-9-15/h4-11,16,20H,3,12-13H2,1-2H3
InChIKeyZYFJYFZPPCKNJF-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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

3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine (CID 79421243) is N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(I)cc1)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is ZYFJYFZPPCKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-3-20-13-16(18-7-5-4-6-14(18)2)12-15-8-10-17(19)11-9-15/h4-11,16,20H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine?
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 379.29 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).