N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine

C15H20FN — CID 61309333

IUPACN-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)c1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-10(12-4-6-14(16)7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3
InChIKeyMCKXJFQFPREGHY-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309333) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309333
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)c1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-10(12-4-6-14(16)7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3
InChIKeyMCKXJFQFPREGHY-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115891281
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 61309333) is N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1C2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MCKXJFQFPREGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10(12-4-6-14(16)7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).