N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine

C16H16F2IN — CID 107515352

IUPACN-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(I)cc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H16F2IN/c1-3-20-16(11-5-7-12(19)8-6-11)13-9-4-10(2)14(17)15(13)18/h4-9,16,20H,3H2,1-2H3
InChIKeyGVHUMBODCVPMKM-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.58
Rot. Bonds4

About N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine

N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine (PubChem CID 107515352) has the molecular formula C16H16F2IN and a molecular weight of 387.21 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
PubChem CID107515352
Molecular FormulaC16H16F2IN
Molecular Weight387.21 g/mol
Exact Mass387.03
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(I)cc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H16F2IN/c1-3-20-16(11-5-7-12(19)8-6-11)13-9-4-10(2)14(17)15(13)18/h4-9,16,20H,3H2,1-2H3
InChIKeyGVHUMBODCVPMKM-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.58
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

[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]hydrazine
CID 107516726
N-[(2,5-dibromo-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 81473949
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine (CID 107515352) is N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine is CCNC(c1ccc(I)cc1)c1ccc(C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine?
The InChIKey is GVHUMBODCVPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2IN/c1-3-20-16(11-5-7-12(19)8-6-11)13-9-4-10(2)14(17)15(13)18/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine?
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine has a molecular weight of 387.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 107515352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).