(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C18H26FN — CID 115400949

IUPAC(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESC[C@@H](NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1F
InChIInChI=1S/C18H26FN/c1-12(14-7-5-6-8-15(14)19)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,12-13,16,20H,9-11H2,1-4H3/t12-,13+,16?,18-/m1/s1
InChIKeyMVIAFCJAXSICAX-FUZATREZSA-N
MW275.41 g/mol
LogP4.69
Rot. Bonds3

About (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 115400949) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID115400949
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESC[C@@H](NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1F
InChIInChI=1S/C18H26FN/c1-12(14-7-5-6-8-15(14)19)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,12-13,16,20H,9-11H2,1-4H3/t12-,13+,16?,18-/m1/s1
InChIKeyMVIAFCJAXSICAX-FUZATREZSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353390
(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
(1R,4S)-N-[(3,4-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400732
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
N-(2,6-difluoro-3-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82819008
(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400349

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 115400949) is (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is C[C@@H](NC1C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1F.
What is the InChIKey of (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is MVIAFCJAXSICAX-FUZATREZSA-N. The full InChI is InChI=1S/C18H26FN/c1-12(14-7-5-6-8-15(14)19)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,12-13,16,20H,9-11H2,1-4H3/t12-,13+,16?,18-/m1/s1.
What are the key properties of (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 275.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).