2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

C17H26FN — CID 106883593

IUPAC2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCCCC2)c(F)c1
InChIInChI=1S/C17H26FN/c1-12-9-13(2)17(15(18)10-12)16(19)11-14-7-5-3-4-6-8-14/h9-10,14,16H,3-8,11,19H2,1-2H3
InChIKeyQVYSWDARIUZCIY-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.80
Rot. Bonds3

About 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (PubChem CID 106883593) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
PubChem CID106883593
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCCCC2)c(F)c1
InChIInChI=1S/C17H26FN/c1-12-9-13(2)17(15(18)10-12)16(19)11-14-7-5-3-4-6-8-14/h9-10,14,16H,3-8,11,19H2,1-2H3
InChIKeyQVYSWDARIUZCIY-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
2-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 114457480
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (CID 106883593) is 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CC2CCCCCC2)c(F)c1.
What is the InChIKey of 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The InChIKey is QVYSWDARIUZCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12-9-13(2)17(15(18)10-12)16(19)11-14-7-5-3-4-6-8-14/h9-10,14,16H,3-8,11,19H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106883593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).