1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine

C15H20ClF2N — CID 107476113

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H20ClF2N/c16-12-9-14(18)13(17)8-11(12)15(19)7-10-5-3-1-2-4-6-10/h8-10,15H,1-7,19H2
InChIKeyQYZZQPKLTUKRRW-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.98
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine

1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine (PubChem CID 107476113) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
PubChem CID107476113
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
SMILESNC(CC1CCCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H20ClF2N/c16-12-9-14(18)13(17)8-11(12)15(19)7-10-5-3-1-2-4-6-10/h8-10,15H,1-7,19H2
InChIKeyQYZZQPKLTUKRRW-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine 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

1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
CID 107477309
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
CID 107477301
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
CID 115847384
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine (CID 107476113) is 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine is NC(CC1CCCCCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine?
The InChIKey is QYZZQPKLTUKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c16-12-9-14(18)13(17)8-11(12)15(19)7-10-5-3-1-2-4-6-10/h8-10,15H,1-7,19H2.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine?
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine has a molecular weight of 287.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine is sourced from PubChem (CID 107476113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).