8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C15H20ClIN2 — CID 107608015

IUPAC8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(I)cc1Cl
InChIInChI=1S/C15H20ClIN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3
InChIKeyOMXMBXQAQAPMHI-UHFFFAOYSA-N
MW390.70 g/mol
LogP4.05
Rot. Bonds3

About 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107608015) has the molecular formula C15H20ClIN2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107608015
Molecular FormulaC15H20ClIN2
Molecular Weight390.70 g/mol
Exact Mass390.04
IUPAC Name8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(I)cc1Cl
InChIInChI=1S/C15H20ClIN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3
InChIKeyOMXMBXQAQAPMHI-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
8-(2-chloro-5-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107531408
9-(2,5-dichloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104728325
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739482
8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
9-(4-chloro-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714697
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769
8-(2-chloro-4-iodophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 107608009
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
N-methyl-8-(2,4,5-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106953

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107608015) is 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1ccc(I)cc1Cl.
What is the InChIKey of 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OMXMBXQAQAPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3.
What are the key properties of 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 390.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107608015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).