N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine

C17H20IN — CID 63528971

IUPACN-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccccc1I
InChIInChI=1S/C17H20IN/c1-3-19-17(15-10-6-7-11-16(15)18)12-14-9-5-4-8-13(14)2/h4-11,17,19H,3,12H2,1-2H3
InChIKeySNYHNGYWTABLNW-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.49
Rot. Bonds5

About N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine

N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 63528971) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
PubChem CID63528971
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC NameN-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccccc1I
InChIInChI=1S/C17H20IN/c1-3-19-17(15-10-6-7-11-16(15)18)12-14-9-5-4-8-13(14)2/h4-11,17,19H,3,12H2,1-2H3
InChIKeySNYHNGYWTABLNW-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.49
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-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091614
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine (CID 63528971) is N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is SNYHNGYWTABLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-3-19-17(15-10-6-7-11-16(15)18)12-14-9-5-4-8-13(14)2/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine?
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 365.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63528971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).