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

C17H18F2IN — CID 115864310

IUPAC1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(I)cc1)Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2IN/c1-2-21-15(10-12-6-8-14(20)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,15,21H,2,10-11H2,1H3
InChIKeyGCQIGORAQFPOCM-UHFFFAOYSA-N
MW401.24 g/mol
LogP4.33
Rot. Bonds6

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

1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine (PubChem CID 115864310) has the molecular formula C17H18F2IN and a molecular weight of 401.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
PubChem CID115864310
Molecular FormulaC17H18F2IN
Molecular Weight401.24 g/mol
Exact Mass401.05
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(I)cc1)Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2IN/c1-2-21-15(10-12-6-8-14(20)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,15,21H,2,10-11H2,1H3
InChIKeyGCQIGORAQFPOCM-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 54.33
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

1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
CID 105137719
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine (CID 115864310) is 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine is CCNC(Cc1ccc(I)cc1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The InChIKey is GCQIGORAQFPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2IN/c1-2-21-15(10-12-6-8-14(20)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,15,21H,2,10-11H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine has a molecular weight of 401.24 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine is sourced from PubChem (CID 115864310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).