1-cycloheptyl-2-(2-fluorophenyl)ethanamine

C15H22FN — CID 62590179

IUPAC1-cycloheptyl-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H22FN/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2
InChIKeySRDPOYKFWMEVSE-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.67
Rot. Bonds3

About 1-cycloheptyl-2-(2-fluorophenyl)ethanamine

1-cycloheptyl-2-(2-fluorophenyl)ethanamine (PubChem CID 62590179) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2-fluorophenyl)ethanamine
PubChem CID62590179
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-cycloheptyl-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H22FN/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2
InChIKeySRDPOYKFWMEVSE-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
CID 114215925
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
1-cyclopentyl-2-phenylethanamine
CID 50988646

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(2-fluorophenyl)ethanamine (CID 62590179) is 1-cycloheptyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is SRDPOYKFWMEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2.
What are the key properties of 1-cycloheptyl-2-(2-fluorophenyl)ethanamine?
1-cycloheptyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62590179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).