1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine

C16H24FN — CID 55091488

IUPAC1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C16H24FN/c1-18-16(14-6-4-2-3-5-7-14)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3
InChIKeyMMJMROQFLGOXMY-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds4

About 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine

1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 55091488) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID55091488
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C16H24FN/c1-18-16(14-6-4-2-3-5-7-14)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3
InChIKeyMMJMROQFLGOXMY-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 64739642
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine (CID 55091488) is 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is MMJMROQFLGOXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-18-16(14-6-4-2-3-5-7-14)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3.
What are the key properties of 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine?
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 55091488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).