N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine

C16H24FN — CID 115592320

IUPACN-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
SMILESCC(Cc1ccccc1F)NC1CCCCCC1
InChIInChI=1S/C16H24FN/c1-13(12-14-8-6-7-11-16(14)17)18-15-9-4-2-3-5-10-15/h6-8,11,13,15,18H,2-5,9-10,12H2,1H3
InChIKeyKGNMICFWJWBAAK-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.07
Rot. Bonds4

About N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine

N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine (PubChem CID 115592320) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
PubChem CID115592320
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
SMILESCC(Cc1ccccc1F)NC1CCCCCC1
InChIInChI=1S/C16H24FN/c1-13(12-14-8-6-7-11-16(14)17)18-15-9-4-2-3-5-10-15/h6-8,11,13,15,18H,2-5,9-10,12H2,1H3
InChIKeyKGNMICFWJWBAAK-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824763
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine (CID 115592320) is N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine is CC(Cc1ccccc1F)NC1CCCCCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine?
The InChIKey is KGNMICFWJWBAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13(12-14-8-6-7-11-16(14)17)18-15-9-4-2-3-5-10-15/h6-8,11,13,15,18H,2-5,9-10,12H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine?
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine has a molecular weight of 249.37 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 N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine is sourced from PubChem (CID 115592320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).