2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine

C17H24BrF2N — CID 106267625

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)C1CCCCCC1
InChIInChI=1S/C17H24BrF2N/c1-2-21-16(12-7-5-3-4-6-8-12)11-13-15(19)10-9-14(18)17(13)20/h9-10,12,16,21H,2-8,11H2,1H3
InChIKeyWGJNIVOETDNIRI-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.22
Rot. Bonds5

About 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine

2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine (PubChem CID 106267625) has the molecular formula C17H24BrF2N and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
PubChem CID106267625
Molecular FormulaC17H24BrF2N
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)C1CCCCCC1
InChIInChI=1S/C17H24BrF2N/c1-2-21-16(12-7-5-3-4-6-8-12)11-13-15(19)10-9-14(18)17(13)20/h9-10,12,16,21H,2-8,11H2,1H3
InChIKeyWGJNIVOETDNIRI-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 106264660
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine (CID 106267625) is 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine is CCNC(Cc1c(F)ccc(Br)c1F)C1CCCCCC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine?
The InChIKey is WGJNIVOETDNIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrF2N/c1-2-21-16(12-7-5-3-4-6-8-12)11-13-15(19)10-9-14(18)17(13)20/h9-10,12,16,21H,2-8,11H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine has a molecular weight of 360.29 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine is sourced from PubChem (CID 106267625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).