(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine

C13H16FN — CID 124526652

IUPAC(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESFc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16FN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10-,13+/m0/s1
InChIKeyKXJYBCJJKJFVCS-OUJBWJOFSA-N
MW205.28 g/mol
LogP3.43
Rot. Bonds2

About (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine

(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 124526652) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID124526652
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESFc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16FN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10-,13+/m0/s1
InChIKeyKXJYBCJJKJFVCS-OUJBWJOFSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
CID 61308981
N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309349
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
CID 61309160
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanenitrile
CID 61308022
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
N-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoro-1,3-benzodioxol-5-amine
CID 63422949
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine (CID 124526652) is (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine is Fc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KXJYBCJJKJFVCS-OUJBWJOFSA-N. The full InChI is InChI=1S/C13H16FN/c14-11-3-5-12(6-4-11)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10-,13+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 124526652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).