1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine

C16H23F2N — CID 65399564

IUPAC1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1CCCCCC1
InChIInChI=1S/C16H23F2N/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyIBUATIOTBGXLDS-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds4

About 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine

1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 65399564) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID65399564
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1CCCCCC1
InChIInChI=1S/C16H23F2N/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyIBUATIOTBGXLDS-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
2-(2,5-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 115336742
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine (CID 65399564) is 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is IBUATIOTBGXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(17)8-9-15(13)18/h8-10,12,16,19H,2-7,11H2,1H3.
What are the key properties of 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine?
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 65399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).