N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine

C15H20FN — CID 61309344

IUPACN-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESFc1cccc(CCNC2CC3CCC2C3)c1
InChIInChI=1S/C15H20FN/c16-14-3-1-2-11(9-14)6-7-17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15,17H,4-8,10H2
InChIKeyPPMIBHLNQWODQF-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309344) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309344
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESFc1cccc(CCNC2CC3CCC2C3)c1
InChIInChI=1S/C15H20FN/c16-14-3-1-2-11(9-14)6-7-17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15,17H,4-8,10H2
InChIKeyPPMIBHLNQWODQF-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
N'-(2-bicyclo[2.2.1]heptanyl)-N-[3-(3,4-dimethylphenyl)propyl]ethane-1,2-diamine
CID 58270673
3-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43635646

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 61309344) is N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine is Fc1cccc(CCNC2CC3CCC2C3)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PPMIBHLNQWODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-14-3-1-2-11(9-14)6-7-17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15,17H,4-8,10H2.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).